Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
67514183

Fc1ccc2c(c1)cc([nH]2)c1[nH]nc(n1)C		 Formula:C11H9FN4
Mol: 216.21
Heavy atoms:16
Aromatic heavy atoms: 14
Fraction Csp3: 0.09
Rotatable bonds: 1
H-bond acceptors: 3
H-bond donors: 2
MR: 58.60
TPSA: 57.36
ILOGP:1.54
XLOGP3: 2.31
WLOGP: 2.82
MLOGP: 1.52
Silicos ITLogP: 3.45
Consensus LogP: 2.33
 ESOL
LogS:-3.22
Solubility(mg/ml): 0.131000
Solubility(mol/l):0.000606
Class:Soluble

Ali
LogS:-3.15
Solubility(mg/ml): 0.152000
Solubility(mol/l): 0.000703
Class:Soluble

SilicosIT
LogS:-4.94
Solubility(mg/ml): 0.002480
Solubility(mol/l): 0.000012
Class:Moderately soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: Yes
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -5.98
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.24