Drug Information| Drug ID: | NPD9054 |
| Drug Name: | Busulfan |
| Molecular Formula: | C6H14O6S2 |
| Canonical SMILES: | CS(=O)(=O)OCCCCOS(=O)(=O)C |
| Standard InCHI: | InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3 |
| Standard InCHIKey: | COVZYZSDYWQREU-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD9054Similarity 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 |
|---|---|---|
| Remote Similarity | 0.6923 | NPC171090 |
| Remote Similarity | 0.6667 | NPC474048 |
| Remote Similarity | 0.5946 | NPC277288 |
| Remote Similarity | 0.5714 | NPC476549 |
| Remote Similarity | 0.5714 | NPC272426 |
| Molecular Weight | 246.02 |
| ALogP | -1.1338 |
| MLogP | 1.24 |
| XLogP | -1.232 |
| HDA | 6 |
| HBD | 0 |
| Rotatable Bonds | 9 |
| TPSA | 103.5 |
| RO5 Violation | 0 |