Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
63202524

O=C(Nc1cc(F)ccc1N)Nc1ccccc1
Formula:C13H12FN3O
Mol: 245.25
Heavy atoms:18
Aromatic heavy atoms: 12
Fraction Csp3: 0.00
Rotatable bonds: 4
H-bond acceptors: 2
H-bond donors: 3
MR: 69.53
TPSA: 67.15
ILOGP:1.93
XLOGP3: 1.90
WLOGP: 3.10
MLOGP: 2.76
Silicos ITLogP: 1.49
Consensus LogP: 2.24
ESOL
LogS:-2.79
Solubility(mg/ml): 0.401000
Solubility(mol/l):0.001630
Class:Soluble

Ali
LogS:-2.93
Solubility(mg/ml): 0.286000
Solubility(mol/l): 0.001170
Class:Soluble

SilicosIT
LogS:-4.89
Solubility(mg/ml): 0.003140
Solubility(mol/l): 0.000013
Class:Moderately soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: No
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  Yes
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.45
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 1
Leadlikeness: 1
Synthetic Accessibility: 2.17