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ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
5968038

O=C(Nc1[n-]ncn1)COc1ccc(cc1C)C		 Formula:C12H13N4O2
Mol: 245.26
Heavy atoms:18
Aromatic heavy atoms: 11
Fraction Csp3: 0.25
Rotatable bonds: 5
H-bond acceptors: 5
H-bond donors: 1
MR: 65.61
TPSA: 77.00
ILOGP:0.24
XLOGP3: 1.92
WLOGP: 0.88
MLOGP: 1.04
Silicos ITLogP: 1.92
Consensus LogP: 1.20
 ESOL
LogS:-2.69
Solubility(mg/ml): 0.498000
Solubility(mol/l):0.002030
Class:Soluble

Ali
LogS:-3.16
Solubility(mg/ml): 0.169000
Solubility(mol/l): 0.000691
Class:Soluble

SilicosIT
LogS:-4.31
Solubility(mg/ml): 0.012100
Solubility(mol/l): 0.000049
Class:Moderately soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.43
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.56
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.21