Drug Information

Drug ID:  NPD9220
Drug Name:  Cyclophosphamide Hydrate
Molecular Formula:  C7H15Cl2N2O2P.H2O
Canonical SMILES:  ClCCN(P1(=O)NCCCO1)CCCl.O
Standard InCHI:  InChI=1S/C7H15Cl2N2O2P.H2O/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;/h1-7H2,(H,10,12);1H2
Standard InCHIKey:  PWOQRKCAHTVFLB-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9220

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.


  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

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
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CAS Number  

Drug Properties

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