Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
71779713

CC[C@@H]1CCCC(=C1[O-])C(=O)Nc1ccccc1
Formula:C15H18NO2
Mol: 244.31
Heavy atoms:18
Aromatic heavy atoms: 6
Fraction Csp3: 0.40
Rotatable bonds: 4
H-bond acceptors: 2
H-bond donors: 1
MR: 71.45
TPSA: 52.16
ILOGP:2.74
XLOGP3: 3.43
WLOGP: 3.33
MLOGP: 2.15
Silicos ITLogP: 2.62
Consensus LogP: 2.85
ESOL
LogS:-3.50
Solubility(mg/ml): 0.077600
Solubility(mol/l):0.000317
Class:Soluble

Ali
LogS:-4.21
Solubility(mg/ml): 0.015200
Solubility(mol/l): 0.000062
Class:Moderately soluble

SilicosIT
LogS:-4.03
Solubility(mg/ml): 0.023000
Solubility(mol/l): 0.000094
Class:Moderately soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  Yes
CYP2C9:  Yes
CYP2D6:  No
CYP3A4:  No
Log kp:  -5.35
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.56
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.92