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ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
76167454

On1c(C[C@@H]2COCC[NH2+]2)nc2c1cccc2		 Formula:C12H16N3O2
Mol: 234.27
Heavy atoms:17
Aromatic heavy atoms: 9
Fraction Csp3: 0.42
Rotatable bonds: 2
H-bond acceptors: 3
H-bond donors: 2
MR: 68.12
TPSA: 63.89
ILOGP:2.09
XLOGP3: 1.08
WLOGP: -0.60
MLOGP: -2.65
Silicos ITLogP: 0.92
Consensus LogP: 0.17
 ESOL
LogS:-2.23
Solubility(mg/ml): 1.370000
Solubility(mol/l):0.005850
Class:Soluble

Ali
LogS:-2.01
Solubility(mg/ml): 2.270000
Solubility(mol/l): 0.009690
Class:Soluble

SilicosIT
LogS:-2.59
Solubility(mg/ml): 0.598000
Solubility(mol/l): 0.002550
Class:Soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: Yes
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.96
Lipinski:0
Ghose: 1
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 1
Leadlikeness: 1
Synthetic Accessibility: 3.15