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 |
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.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
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 |
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 |