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ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
89290619

O=C(Nc1cnccc1C)N[C@@H](c1ccco1)C		 Formula:C13H15N3O2
Mol: 245.28
Heavy atoms:18
Aromatic heavy atoms: 11
Fraction Csp3: 0.23
Rotatable bonds: 5
H-bond acceptors: 3
H-bond donors: 2
MR: 68.27
TPSA: 67.16
ILOGP:2.58
XLOGP3: 1.22
WLOGP: 2.35
MLOGP: 0.64
Silicos ITLogP: 1.70
Consensus LogP: 1.70
 ESOL
LogS:-2.25
Solubility(mg/ml): 1.370000
Solubility(mol/l):0.005600
Class:Soluble

Ali
LogS:-2.23
Solubility(mg/ml): 1.450000
Solubility(mol/l): 0.005920
Class:Soluble

SilicosIT
LogS:-4.64
Solubility(mg/ml): 0.005660
Solubility(mol/l): 0.000023
Class:Moderately soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: No
CYP1A2 inhibitor: No
CYP2C19:  Yes
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.93
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 3.04