ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
76168196 | CN1CC[NH2+][C@H](C1)Cc1nccn1O | Formula:C9H17N4O Mol: 197.26 Heavy atoms:14 Aromatic heavy atoms: 5 Fraction Csp3: 0.67 Rotatable bonds: 2 H-bond acceptors: 3 H-bond donors: 2 MR: 61.15 TPSA: 57.90 | ILOGP:1.88 XLOGP3: -0.16 WLOGP: -2.22 MLOGP: -3.84 Silicos ITLogP: -0.49 Consensus LogP: -0.97 | ESOL LogS:-1.09 Solubility(mg/ml): 9.999999 Solubility(mol/l):0.080400 Class:Very soluble Ali LogS:-0.60 Solubility(mg/ml): 9.999999 Solubility(mol/l): 0.251000 Class:Very soluble SilicosIT LogS:-0.90 Solubility(mg/ml): 9.999999 Solubility(mol/l): 0.126000 Class:Soluble | GIAbsorption:Low BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -7.62 | Lipinski:0 Ghose: 1 Veber: 0 Egan: 0 Muegge: 1 Bioavalability Score0.55 | PAINS:0 Brenk: 1 Leadlikeness: 1 Synthetic Accessibility: 3.16 |