ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
69569609 | CCNC(=O)NCC1(CC1)c1ccccc1OC | Formula:C14H20N2O2 Mol: 248.32 Heavy atoms:18 Aromatic heavy atoms: 6 Fraction Csp3: 0.50 Rotatable bonds: 7 H-bond acceptors: 2 H-bond donors: 2 MR: 70.70 TPSA: 50.36 | ILOGP:2.31 XLOGP3: 1.95 WLOGP: 1.98 MLOGP: 1.94 Silicos ITLogP: 2.39 Consensus LogP: 2.12 | ESOL LogS:-2.39 Solubility(mg/ml): 1.010000 Solubility(mol/l):0.004050 Class:Soluble Ali LogS:-2.63 Solubility(mg/ml): 0.579000 Solubility(mol/l): 0.002330 Class:Soluble SilicosIT LogS:-4.60 Solubility(mg/ml): 0.006270 Solubility(mol/l): 0.000025 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: Yes CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: Yes CYP3A4: No Log kp: -6.43 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.97 |