ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
94993120 | CC(Cc1n[nH]c(n1)NC(=O)c1ccccn1)C | Formula:C12H15N5O Mol: 245.28 Heavy atoms:18 Aromatic heavy atoms: 11 Fraction Csp3: 0.33 Rotatable bonds: 5 H-bond acceptors: 4 H-bond donors: 2 MR: 67.78 TPSA: 83.56 | ILOGP:0.22 XLOGP3: 2.04 WLOGP: 1.46 MLOGP: 0.64 Silicos ITLogP: 1.90 Consensus LogP: 1.25 | ESOL LogS:-2.77 Solubility(mg/ml): 0.418000 Solubility(mol/l):0.001710 Class:Soluble Ali LogS:-3.42 Solubility(mg/ml): 0.092600 Solubility(mol/l): 0.000378 Class:Soluble SilicosIT LogS:-4.24 Solubility(mg/ml): 0.014000 Solubility(mol/l): 0.000057 Class:Moderately soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.35 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.44 |