Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
16545030

O=C(n1cccn1)Nc1cccc2c1cccc2		 Formula:C14H11N3O
Mol: 237.26
Heavy atoms:18
Aromatic heavy atoms: 15
Fraction Csp3: 0.00
Rotatable bonds: 3
H-bond acceptors: 2
H-bond donors: 1
MR: 70.41
TPSA: 46.92
ILOGP:1.87
XLOGP3: 2.75
WLOGP: 2.93
MLOGP: 2.62
Silicos ITLogP: 1.58
Consensus LogP: 2.35
 ESOL
LogS:-3.46
Solubility(mg/ml): 0.081900
Solubility(mol/l):0.000345
Class:Soluble

Ali
LogS:-3.39
Solubility(mg/ml): 0.096600
Solubility(mol/l): 0.000407
Class:Soluble

SilicosIT
LogS:-4.61
Solubility(mg/ml): 0.005820
Solubility(mol/l): 0.000025
Class:Moderately soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  Yes
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -5.79
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.16