Drug ID:   | NPD8569 |
Drug Name:   | |
Molecular Formula:   | C4H4ClNS |
Canonical SMILES:   | ClCc1cscn1 |
Standard InCHI:   | InChI=1S/C4H4ClNS/c5-1-4-2-7-3-6-4/h2-3H,1H2 |
Standard InCHIKey:   | QKWSLYINUYKIRF-UHFFFAOYSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
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 |
---|---|---|
High Similarity | 0.8933 | NPC148983 |
Remote Similarity | 0.679 | NPC101174 |
Remote Similarity | 0.6484 | NPC261708 |
Remote Similarity | 0.598 | NPC323937 |
Remote Similarity | 0.5701 | NPC162460 |
Molecular Weight   | 132.98 |
ALogP   | 1.3465 |
MLogP   | 1.57 |
XLogP   | 1.562 |
HDA   | 1 |
HBD   | 0 |
Rotatable Bonds   | 2 |
TPSA   | 41.13 |
RO5 Violation   | 0 |