Drug ID:   | NPD9077 |
Drug Name:   | Dichlorphenamide; Diclofenamide |
Molecular Formula:   | C6H6Cl2N2O4S2 |
Canonical SMILES:   | Clc1cc(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N |
Standard InCHI:   | InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14) |
Standard InCHIKey:   | GJQPMPFPNINLKP-UHFFFAOYSA-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 |
---|---|---|
Intermediate Similarity | 0.7222 | NPC67863 |
Intermediate Similarity | 0.7021 | NPC125549 |
Remote Similarity | 0.6667 | NPC134584 |
Remote Similarity | 0.6105 | NPC302129 |
Remote Similarity | 0.6105 | NPC35599 |
Remote Similarity | 0.6047 | NPC18259 |
Remote Similarity | 0.6047 | NPC119076 |
Remote Similarity | 0.5859 | NPC321053 |
Molecular Weight   | 303.91 |
ALogP   | -0.3844 |
MLogP   | 1.02 |
XLogP   | -0.844 |
HDA   | 6 |
HBD   | 2 |
Rotatable Bonds   | 6 |
TPSA   | 137.08 |
RO5 Violation   | 0 |