Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
71257662

Fc1cnc2c(c1)[nH]c(n2)[C@@H]1COC(O1)(C)C		 Formula:C11H12FN3O2
Mol: 237.23
Heavy atoms:17
Aromatic heavy atoms: 9
Fraction Csp3: 0.45
Rotatable bonds: 1
H-bond acceptors: 5
H-bond donors: 1
MR: 58.13
TPSA: 60.03
ILOGP:1.65
XLOGP3: 0.91
WLOGP: 2.02
MLOGP: 0.89
Silicos ITLogP: 2.59
Consensus LogP: 1.61
 ESOL
LogS:-2.21
Solubility(mg/ml): 1.460000
Solubility(mol/l):0.006170
Class:Soluble

Ali
LogS:-1.76
Solubility(mg/ml): 4.160000
Solubility(mol/l): 0.017500
Class:Very soluble

SilicosIT
LogS:-3.67
Solubility(mg/ml): 0.051000
Solubility(mol/l): 0.000215
Class:Soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: Yes
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -7.10
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 3.22