Drug Information| Drug ID: | NPD9252 |
| Drug Name: | Chlorothiazide |
| Molecular Formula: | C7H6ClN3O4S2 |
| Canonical SMILES: | Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N |
| Standard InCHI: | InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13) |
| Standard InCHIKey: | JBMKAUGHUNFTOL-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD9252Similarity 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.
Similar Natural Products 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 | 0.8346 | NPC321053 |
| Remote Similarity | 0.6752 | NPC315403 |
| Remote Similarity | 0.6441 | NPC43655 |
| Remote Similarity | 0.6333 | NPC107135 |
| Remote Similarity | 0.5935 | NPC240134 |
| Remote Similarity | 0.5891 | NPC316435 |
| Remote Similarity | 0.5854 | NPC297532 |
| Remote Similarity | 0.5827 | NPC218710 |
| Remote Similarity | 0.5672 | NPC313810 |
| Remote Similarity | 0.5603 | NPC66775 |
| Molecular Weight | 294.95 |
| ALogP | -1.1629 |
| MLogP | 1.13 |
| XLogP | -0.725 |
| HDA | 7 |
| HBD | 2 |
| Rotatable Bonds | 3 |
| TPSA | 135.45 |
| RO5 Violation | 0 |