Drug Information

Drug ID:  NPD8786
Drug Name:  Zoledronic Acid
Molecular Formula:  C5H10N2O7P2
Canonical SMILES:  OP(=O)(C(P(=O)(O)O)(Cn1cncc1)O)O
Standard InCHI:  InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
Standard InCHIKey:  XRASPMIURGNCCH-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD8786

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

Drug Structure

This browser does not support HTML5/Canvas.

External Identifiers

TTD   DAP001539; DAP001023; DNCL002658
DrugBank   DB00399
ChEMBL   CHEMBL924
IUPHAR/BPS   3177
PharmaGKB   PA10235
KEGG Drug   D01968
PubChem CID   68740; 121586
ChEBI   46557
CAS Number  118072-93-8

Drug Properties

Molecular Weight  272.00
ALogP  -1.1181
MLogP  0.8
XLogP  -4.318
HDA  9
HBD  5
Rotatable Bonds  9
TPSA  172.73
RO5 Violation  0