Drug ID: | NPD163 |
Drug Name: | |
Molecular Formula: | C10H10N6O2 |
Canonical SMILES: | O=N(=O)c1cnc(n1C)/C=C/c1cc[nH]c(=N)n1 |
Standard InCHI: | InChI=1S/C10H10N6O2/c1-15-8(13-6-9(15)16(17)18)3-2-7-4-5-12-10(11)14-7/h2-6H,1H3,(H2,11,12,14)/b3-2+ |
Standard InCHIKey: | LHIALLMPKJMSIQ-NSCUHMNNSA-N |
Max Developmental Stage: | Approved |
Max Developmental Stage Source: | TTD |
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 | DIB010962 |
DrugBank | |
ChEMBL | |
IUPHAR/BPS | |
PharmaGKB | |
KEGG Drug | |
PubChem CID | |
ChEBI | |
CAS Number |
Molecular Weight | 246.09 |
ALogP | 0.2668 |
MLogP | 1.68 |
XLogP | 0.592 |
HDA | 5 |
HBD | 2 |
Rotatable Bonds | 5 |
TPSA | 109.2 |
RO5 Violation | 0 |