Drug ID:   | NPD9460 |
Drug Name:   | |
Molecular Formula:   | C8H19NO6P2 |
Canonical SMILES:   | [O-]P(=O)(C(P(=O)(O)O)NC1CCCCCC1)[O-] |
Standard InCHI:   | InChI=1S/C8H19NO6P2/c10-16(11,12)8(17(13,14)15)9-7-5-3-1-2-4-6-7/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15)/p-2 |
Standard InCHIKey:   | LWRDQHOZTAOILO-UHFFFAOYSA-L |
Max Developmental Stage:   | Approved |
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 |
---|---|---|
Remote Similarity | 0.6122 | NPC167301 |
Remote Similarity | 0.5833 | NPC74599 |
Remote Similarity | 0.5652 | NPC320889 |
Remote Similarity | 0.56 | NPC326791 |
Remote Similarity | 0.56 | NPC473035 |
Molecular Weight   | 285.05 |
ALogP   | -3.6408 |
MLogP   | 1.35 |
XLogP   | -1.512 |
HDA   | 7 |
HBD   | 3 |
Rotatable Bonds   | 8 |
TPSA   | 152.37 |
RO5 Violation   | 0 |