ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
9001839 | N#Cc1ccsc1NC(=O)c1nn(c(c1)C)C | Formula:C11H10N4OS Mol: 246.29 Heavy atoms:17 Aromatic heavy atoms: 10 Fraction Csp3: 0.18 Rotatable bonds: 3 H-bond acceptors: 3 H-bond donors: 1 MR: 65.26 TPSA: 98.95 | ILOGP:1.70 XLOGP3: 2.09 WLOGP: 1.72 MLOGP: 0.32 Silicos ITLogP: 2.17 Consensus LogP: 1.60 | ESOL LogS:-2.92 Solubility(mg/ml): 0.295000 Solubility(mol/l):0.001200 Class:Soluble Ali LogS:-3.80 Solubility(mg/ml): 0.039200 Solubility(mol/l): 0.000159 Class:Soluble SilicosIT LogS:-3.06 Solubility(mg/ml): 0.213000 Solubility(mol/l): 0.000865 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.32 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.56 |