Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
49449849

O=C(c1cc2c([nH]1)cccc2F)Nc1n[nH]cc1		 Formula:C12H9FN4O
Mol: 244.22
Heavy atoms:18
Aromatic heavy atoms: 14
Fraction Csp3: 0.00
Rotatable bonds: 3
H-bond acceptors: 3
H-bond donors: 3
MR: 64.62
TPSA: 73.57
ILOGP:1.19
XLOGP3: 1.94
WLOGP: 2.51
MLOGP: 1.56
Silicos ITLogP: 2.57
Consensus LogP: 1.96
 ESOL
LogS:-2.95
Solubility(mg/ml): 0.272000
Solubility(mol/l):0.001110
Class:Soluble

Ali
LogS:-3.11
Solubility(mg/ml): 0.190000
Solubility(mol/l): 0.000777
Class:Soluble

SilicosIT
LogS:-4.92
Solubility(mg/ml): 0.002910
Solubility(mol/l): 0.000012
Class:Moderately soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.41
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.13