Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
16385281

Fc1ccc(c(c1)F)C(=O)Nc1n[nH]cn1		 Formula:C9H6F2N4O
Mol: 224.17
Heavy atoms:16
Aromatic heavy atoms: 11
Fraction Csp3: 0.00
Rotatable bonds: 3
H-bond acceptors: 5
H-bond donors: 2
MR: 50.51
TPSA: 70.67
ILOGP:0.67
XLOGP3: 1.36
WLOGP: 1.98
MLOGP: 1.41
Silicos ITLogP: 1.93
Consensus LogP: 1.47
 ESOL
LogS:-2.40
Solubility(mg/ml): 0.898000
Solubility(mol/l):0.004010
Class:Soluble

Ali
LogS:-2.45
Solubility(mg/ml): 0.802000
Solubility(mol/l): 0.003580
Class:Soluble

SilicosIT
LogS:-3.95
Solubility(mg/ml): 0.025300
Solubility(mol/l): 0.000113
Class:Soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: No
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.70
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 1.91