Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
45783878

O=C(c1cc2c([nH]1)cccc2)NCc1cocc1		 Formula:C14H12N2O2
Mol: 240.26
Heavy atoms:18
Aromatic heavy atoms: 14
Fraction Csp3: 0.07
Rotatable bonds: 4
H-bond acceptors: 2
H-bond donors: 2
MR: 68.05
TPSA: 58.03
ILOGP:1.89
XLOGP3: 2.62
WLOGP: 2.54
MLOGP: 1.04
Silicos ITLogP: 2.93
Consensus LogP: 2.20
 ESOL
LogS:-3.29
Solubility(mg/ml): 0.123000
Solubility(mol/l):0.000511
Class:Soluble

Ali
LogS:-3.49
Solubility(mg/ml): 0.078000
Solubility(mol/l): 0.000325
Class:Soluble

SilicosIT
LogS:-5.43
Solubility(mg/ml): 0.000901
Solubility(mol/l): 0.000004
Class:Moderately soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  Yes
CYP2C9:  No
CYP2D6:  Yes
CYP3A4:  Yes
Log kp:  -5.91
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.19