Number | Explanation |
---|
0 | All fragments measured |
10 | Valid estimate for difficult structure |
20 | Estimated fragment value used |
30 | Approximated fragment value used |
31 | Benzyl approximation used |
32 | Vinyl approximation used |
33 | New approximated fragment value used |
40 | A priori fragment value used |
41 | Benzyl approx. based on a priori value |
42 | Vinyl approx. based on a priori value |
43 | Other a priori fragment value used |
50 | Warning, hard-to-estimate structure |
51 | Very high LogP unrealistic in nature |
52 | "X/Y-C-C-Y" excessive structure |
54 | Possibly low due to hydrophillic overlap |
55 | Possibly anomalous steroid |
56 | Possibly anomalous alkaloid |
57 | Error uncertain for charged structures |
58 | (NEW) STRUCTURE CAUGHT IN SCREEN |
60 | INVALID due to missing fragment value |
70 | Apparent impossible structure |
71 | CLOGP3 can't do disconnected structures |
72 | Apparent impossible structure |
80 | INVALID smiles input (fatal) |
90 | NULL smiles input (fatal) |