Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
37564970

CCOC(=O)CNC(=O)c1cc2c([nH]1)cccc2
Formula:C13H14N2O3
Mol: 246.26
Heavy atoms:18
Aromatic heavy atoms: 9
Fraction Csp3: 0.23
Rotatable bonds: 6
H-bond acceptors: 3
H-bond donors: 2
MR: 67.00
TPSA: 71.19
ILOGP:1.49
XLOGP3: 2.35
WLOGP: 1.46
MLOGP: 0.87
Silicos ITLogP: 2.20
Consensus LogP: 1.67
ESOL
LogS:-2.82
Solubility(mg/ml): 0.372000
Solubility(mol/l):0.001510
Class:Soluble

Ali
LogS:-3.48
Solubility(mg/ml): 0.080700
Solubility(mol/l): 0.000328
Class:Soluble

SilicosIT
LogS:-4.18
Solubility(mg/ml): 0.016400
Solubility(mol/l): 0.000067
Class:Moderately soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.13
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 1.86