Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
74327150

Fc1cnc2c(c1)[nH]c(n2)c1ccc(c(c1)F)F		 Formula:C12H6F3N3
Mol: 249.19
Heavy atoms:18
Aromatic heavy atoms: 15
Fraction Csp3: 0.00
Rotatable bonds: 1
H-bond acceptors: 5
H-bond donors: 1
MR: 59.20
TPSA: 41.57
ILOGP:1.68
XLOGP3: 2.71
WLOGP: 4.30
MLOGP: 3.27
Silicos ITLogP: 4.22
Consensus LogP: 3.24
 ESOL
LogS:-3.64
Solubility(mg/ml): 0.056700
Solubility(mol/l):0.000228
Class:Soluble

Ali
LogS:-3.24
Solubility(mg/ml): 0.145000
Solubility(mol/l): 0.000580
Class:Soluble

SilicosIT
LogS:-5.90
Solubility(mg/ml): 0.000314
Solubility(mol/l): 0.000001
Class:Moderately soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: Yes
CYP1A2 inhibitor: Yes
CYP2C19:  Yes
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -5.90
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.15