wdi.cgi

Server: User: Pass:
Query:

SMILES/SMARTS:    Isomeric

   Exact structure match
   Similar structures    Tversky  A:  B:
   Substructure
   SMARTS match
NAME: Exact Substring  Case sensitive
DXRN:
CAS:
Output options:

Datatypes:

Show SQL:   Hide form:   Show duplicates:  
Col width:   Max output lines:
DayCart debug level: 0,1,5,9
SQL:
      

SET PAGESIZE 100;
COLUMN DXRN HEADING DXRN FORMAT A20;
COLUMN NAM HEADING Name FORMAT A20;
COLUMN SMI HEADING SMILES FORMAT A20;
COLUMN SIM FORMAT 9.99;
SELECT DISTINCT WDI.DXRN,WDI_NAM.NAM,SMI,tanimoto(SMI,'CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2') "SIM"
	FROM WDI,WDI_NAM
	WHERE contains(SMI,smi2cansmi('CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2',0))=1
	AND WDI.DXRN=WDI_NAM.DXRN(+) ORDER BY tanimoto(SMI,'CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2') DESC;
QUIT;


SQL*Plus: Release 8.1.5.0.0 - Production on Fri Aug 10 10:26:53 2001

(c) Copyright 1999 Oracle Corporation.  All rights reserved.


Connected to:
Oracle8i Enterprise Edition Release 8.1.5.0.2 - Production
With the Partitioning and Java options
PL/SQL Release 8.1.5.0.0 - Production


DXRN		     Name		  SMILES		 SIM
-------------------- -------------------- -------------------- -----
FLUOXETIN	     FLUOX		  CNCCC(Oc1ccc(cc1)C(F	1.00
					  )(F)F)c2ccccc2

FLUOXETIN	     FLUOXETINE 	  CNCCC(Oc1ccc(cc1)C(F	1.00
					  )(F)F)c2ccccc2

FLUOXETIN	     LILLY-103472	  CNCCC(Oc1ccc(cc1)C(F	1.00
					  )(F)F)c2ccccc2

FLUOXETIN	     FLUTENE		  CNCCC(Oc1ccc(cc1)C(F	1.00
					  )(F)F)c2ccccc2

FLUOXETIN	     PROZAC		  CNCCC(Oc1ccc(cc1)C(F	1.00
					  )(F)F)c2ccccc2

FLUOXETIN	     SARAFEM		  CNCCC(Oc1ccc(cc1)C(F	1.00
					  )(F)F)c2ccccc2

FLUOXETIN	     PROZAC-20		  CNCCC(Oc1ccc(cc1)C(F	1.00
					  )(F)F)c2ccccc2

FLUOXETIN	     PLINZENE		  CNCCC(Oc1ccc(cc1)C(F	1.00
					  )(F)F)c2ccccc2

FLUOXEHCL	     ADOFEN		  Cl.CNCCC(Oc1ccc(cc1)	 .98
					  C(F)(F)F)c2ccccc2

FLUOXEHCL	     DOCUTRIX		  Cl.CNCCC(Oc1ccc(cc1)	 .98
					  C(F)(F)F)c2ccccc2

FLUOXEHCL	     FLUCTIN		  Cl.CNCCC(Oc1ccc(cc1)	 .98
					  C(F)(F)F)c2ccccc2

FLUOXEHCL	     FLUOXETINE HYDROCHLO Cl.CNCCC(Oc1ccc(cc1)	 .98
		     RIDE		  C(F)(F)F)c2ccccc2

FLUOXEHCL	     FONTEX		  Cl.CNCCC(Oc1ccc(cc1)	 .98
					  C(F)(F)F)c2ccccc2

FLUOXEHCL	     RENEURON		  Cl.CNCCC(Oc1ccc(cc1)	 .98
					  C(F)(F)F)c2ccccc2

FLUOXEHCL	     LILLY-110-140	  Cl.CNCCC(Oc1ccc(cc1)	 .98
					  C(F)(F)F)c2ccccc2

FLUOXEHCL	     FLUOXETINE-HYDROCHLO Cl.CNCCC(Oc1ccc(cc1)	 .98
		     RIDE		  C(F)(F)F)c2ccccc2

FLUOXEHCL	     FLUOXEREN		  Cl.CNCCC(Oc1ccc(cc1)	 .98
					  C(F)(F)F)c2ccccc2

DR0010895	     ORG-24598		  [Li+].CN(CCC(Oc1ccc(	 .89
					  cc1)C(F)(F)F)c2ccccc
					  2)C(=O)O

MDL27777A	     MDL-27777-A	  Cl.CNCC1Cc2ccccc2C1O	 .72
					  c3ccc(cc3)C(F)(F)F


19 rows selected.

Disconnected from Oracle8i Enterprise Edition Release 8.1.5.0.2 - Production
With the Partitioning and Java options
PL/SQL Release 8.1.5.0.0 - Production
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