Drug ID:   | NPD5799 |
Drug Name:   | D-21805 |
Molecular Formula:   | C23H50AsO4P |
Canonical SMILES:   | CCCCCCCCCCCCCCCCCCOP(=O)(OCC[As+](C)(C)C)[O-] |
Standard InCHI:   | InChI=1S/C23H50AsO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27-29(25,26)28-23-21-24(2,3)4/h5-23H2,1-4H3 |
Standard InCHIKey:   | OZJQEYCFOVPWNM-UHFFFAOYSA-N |
Max Developmental Stage:   | Discontinued |
Max Developmental Stage Source:   | TTD |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
Intermediate Similarity | 0.7179 | NPC474120 |
Intermediate Similarity | 0.7179 | NPC474089 |
Remote Similarity | 0.6944 | NPC120097 |
Remote Similarity | 0.68 | NPC473872 |
Remote Similarity | 0.6667 | NPC272426 |
Remote Similarity | 0.65 | NPC291158 |
Remote Similarity | 0.65 | NPC181516 |
Remote Similarity | 0.65 | NPC152759 |
Remote Similarity | 0.65 | NPC12231 |
Remote Similarity | 0.65 | NPC272998 |
Remote Similarity | 0.65 | NPC205141 |
Remote Similarity | 0.65 | NPC185538 |
Remote Similarity | 0.65 | NPC139131 |
Remote Similarity | 0.6429 | NPC474914 |
Remote Similarity | 0.6429 | NPC474392 |
Remote Similarity | 0.6341 | NPC139569 |
Remote Similarity | 0.6279 | NPC74352 |
Remote Similarity | 0.6279 | NPC128996 |
Remote Similarity | 0.625 | NPC126915 |
Remote Similarity | 0.6222 | NPC152008 |
Remote Similarity | 0.619 | NPC97967 |
Remote Similarity | 0.6136 | NPC197039 |
Remote Similarity | 0.6 | NPC185041 |
Remote Similarity | 0.6 | NPC112242 |
Remote Similarity | 0.6 | NPC24506 |
Remote Similarity | 0.6 | NPC236797 |
Remote Similarity | 0.6 | NPC225783 |
Remote Similarity | 0.6 | NPC147096 |
Remote Similarity | 0.6 | NPC163556 |
Remote Similarity | 0.5965 | NPC319131 |
Remote Similarity | 0.5965 | NPC474627 |
Remote Similarity | 0.5965 | NPC201338 |
Remote Similarity | 0.5965 | NPC328786 |
Remote Similarity | 0.5965 | NPC174485 |
Remote Similarity | 0.5957 | NPC474126 |
Remote Similarity | 0.5957 | NPC474125 |
Remote Similarity | 0.5814 | NPC196442 |
Remote Similarity | 0.5814 | NPC301398 |
Remote Similarity | 0.5814 | NPC223374 |
Remote Similarity | 0.5814 | NPC86545 |
Remote Similarity | 0.5714 | NPC72324 |
Remote Similarity | 0.5714 | NPC66124 |
Remote Similarity | 0.5714 | NPC1748 |
Remote Similarity | 0.5714 | NPC319034 |
Remote Similarity | 0.5714 | NPC147054 |
Remote Similarity | 0.5714 | NPC193062 |
Remote Similarity | 0.5652 | NPC221022 |
Remote Similarity | 0.5652 | NPC471282 |
Remote Similarity | 0.5641 | NPC68114 |
Remote Similarity | 0.5625 | NPC203531 |
Remote Similarity | 0.5625 | NPC236579 |
TTD   | DIB014535 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 496.27 |
ALogP   | -5.1402 |
MLogP   | 3.33 |
XLogP   | 9.944 |
HDA   | 4 |
HBD   | 0 |
Rotatable Bonds   | 27 |
TPSA   | 68.4 |
RO5 Violation   | 2 |