ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
13667547 | N#Cc1ccsc1NC(=O)c1ccn(n1)C | Formula:C10H8N4OS Mol: 232.26 Heavy atoms:16 Aromatic heavy atoms: 10 Fraction Csp3: 0.10 Rotatable bonds: 3 H-bond acceptors: 3 H-bond donors: 1 MR: 60.30 TPSA: 98.95 | ILOGP:1.88 XLOGP3: 1.69 WLOGP: 1.41 MLOGP: 0.03 Silicos ITLogP: 1.69 Consensus LogP: 1.34 | ESOL LogS:-2.61 Solubility(mg/ml): 0.571000 Solubility(mol/l):0.002460 Class:Soluble Ali LogS:-3.38 Solubility(mg/ml): 0.096200 Solubility(mol/l): 0.000414 Class:Soluble SilicosIT LogS:-2.68 Solubility(mg/ml): 0.488000 Solubility(mol/l): 0.002100 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.52 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.44 |