Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
71261270

Fc1ccc(c(c1)F)Nc1ncc(c(=O)[nH]1)F
Formula:C10H6F3N3O
Mol: 241.17
Heavy atoms:17
Aromatic heavy atoms: 12
Fraction Csp3: 0.00
Rotatable bonds: 2
H-bond acceptors: 5
H-bond donors: 2
MR: 54.28
TPSA: 57.78
ILOGP:1.51
XLOGP3: 1.17
WLOGP: 3.19
MLOGP: 2.09
Silicos ITLogP: 3.03
Consensus LogP: 2.20
ESOL
LogS:-2.46
Solubility(mg/ml): 0.831000
Solubility(mol/l):0.003450
Class:Soluble

Ali
LogS:-1.98
Solubility(mg/ml): 2.530000
Solubility(mol/l): 0.010500
Class:Very soluble

SilicosIT
LogS:-4.97
Solubility(mg/ml): 0.002570
Solubility(mol/l): 0.000011
Class:Moderately soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: No
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.94
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.10