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ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
54438204

Nc1nc(COc2ccccc2)nc2c1CCC2		 Formula:C14H15N3O
Mol: 241.29
Heavy atoms:18
Aromatic heavy atoms: 12
Fraction Csp3: 0.29
Rotatable bonds: 3
H-bond acceptors: 3
H-bond donors: 1
MR: 70.04
TPSA: 61.03
ILOGP:2.41
XLOGP3: 2.04
WLOGP: 1.98
MLOGP: 1.64
Silicos ITLogP: 2.72
Consensus LogP: 2.16
 ESOL
LogS:-2.92
Solubility(mg/ml): 0.292000
Solubility(mol/l):0.001210
Class:Soluble

Ali
LogS:-2.95
Solubility(mg/ml): 0.271000
Solubility(mol/l): 0.001120
Class:Soluble

SilicosIT
LogS:-4.79
Solubility(mg/ml): 0.003900
Solubility(mol/l): 0.000016
Class:Moderately soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: Yes
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  Yes
CYP3A4:  Yes
Log kp:  -6.32
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.58