ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
37357869 | CN([C@](c1ccccn1)(C(=O)[O-])C)C | Formula:C10H13N2O2 Mol: 193.22 Heavy atoms:14 Aromatic heavy atoms: 6 Fraction Csp3: 0.40 Rotatable bonds: 3 H-bond acceptors: 4 H-bond donors: 0 MR: 51.04 TPSA: 56.26 | ILOGP:1.51 XLOGP3: -1.57 WLOGP: -0.50 MLOGP: 0.16 Silicos ITLogP: 0.53 Consensus LogP: 0.03 | ESOL LogS:-0.17 Solubility(mg/ml): 9.999999 Solubility(mol/l):0.679000 Class:Very soluble Ali LogS:0.90 Solubility(mg/ml): 9.999999 Solubility(mol/l): 7.880000 Class:Highly soluble SilicosIT LogS:-1.95 Solubility(mg/ml): 2.170000 Solubility(mol/l): 0.011200 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -8.59 | Lipinski:0 Ghose: 1 Veber: 0 Egan: 0 Muegge: 1 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.21 |