Drug ID:   | NPD9301 |
Drug Name:   | Ethchlorvynol |
Molecular Formula:   | C7H9ClO |
Canonical SMILES:   | CCC(C#C)(/C=C/Cl)O |
Standard InCHI:   | InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3/b6-5+ |
Standard InCHIKey:   | ZEHYJZXQEQOSON-AATRIKPKSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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 | 0.6304 | NPC56917 |
Remote Similarity | 0.6047 | NPC81989 |
Remote Similarity | 0.6042 | NPC88079 |
Remote Similarity | 0.6042 | NPC68889 |
Remote Similarity | 0.6042 | NPC180871 |
Remote Similarity | 0.6042 | NPC194586 |
Remote Similarity | 0.6042 | NPC209279 |
Remote Similarity | 0.6042 | NPC51758 |
Remote Similarity | 0.6042 | NPC67761 |
Remote Similarity | 0.6042 | NPC108494 |
Remote Similarity | 0.5778 | NPC79544 |
Remote Similarity | 0.5745 | NPC306850 |
Molecular Weight   | 144.03 |
ALogP   | 0.5453 |
MLogP   | 2.01 |
XLogP   | 1.83 |
HDA   | 1 |
HBD   | 1 |
Rotatable Bonds   | 5 |
TPSA   | 20.23 |
RO5 Violation   | 0 |