ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
83371182 | O=c1[nH]c(NCc2cncnc2)nc2c1nc[nH]2 | Formula:C10H9N7O Mol: 243.22 Heavy atoms:18 Aromatic heavy atoms: 15 Fraction Csp3: 0.10 Rotatable bonds: 3 H-bond acceptors: 5 H-bond donors: 3 MR: 63.89 TPSA: 112.24 | ILOGP:0.08 XLOGP3: -0.90 WLOGP: -0.29 MLOGP: -1.04 Silicos ITLogP: 1.11 Consensus LogP: -0.21 | ESOL LogS:-1.20 Solubility(mg/ml): 9.999999 Solubility(mol/l):0.063100 Class:Very soluble Ali LogS:-0.97 Solubility(mg/ml): 9.999999 Solubility(mol/l): 0.106000 Class:Very soluble SilicosIT LogS:-4.31 Solubility(mg/ml): 0.011900 Solubility(mol/l): 0.000049 Class:Moderately soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -8.42 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.36 |