Drug Information| Drug ID: | NPD9222 |
| Drug Name: | Cyclophosphamide |
| Molecular Formula: | C7H15Cl2N2O2P |
| Canonical SMILES: | ClCCN(P1(=O)NCCCO1)CCCl |
| Standard InCHI: | InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12) |
| Standard InCHIKey: | CMSMOCZEIVJLDB-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD9222Similarity 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 | 0.5625 | NPC292422 |
| Molecular Weight | 260.02 |
| ALogP | 0.0841 |
| MLogP | 1.46 |
| XLogP | 0.835 |
| HDA | 4 |
| HBD | 1 |
| Rotatable Bonds | 7 |
| TPSA | 51.38 |
| RO5 Violation | 0 |