Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
36878788

[O-]C(=O)C[C@H]([NH2+][C@@H]1CCc2c1cccc2)C		 Formula:C13H17NO2
Mol: 219.28
Heavy atoms:16
Aromatic heavy atoms: 6
Fraction Csp3: 0.46
Rotatable bonds: 4
H-bond acceptors: 2
H-bond donors: 1
MR: 62.18
TPSA: 56.74
ILOGP:2.14
XLOGP3: -0.08
WLOGP: -0.56
MLOGP: -1.83
Silicos ITLogP: 2.12
Consensus LogP: 0.36
 ESOL
LogS:-1.16
Solubility(mg/ml): 9.999999
Solubility(mol/l):0.068800
Class:Very soluble

Ali
LogS:-0.66
Solubility(mg/ml): 9.999999
Solubility(mol/l): 0.219000
Class:Very soluble

SilicosIT
LogS:-3.27
Solubility(mg/ml): 0.118000
Solubility(mol/l): 0.000537
Class:Soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -7.69
Lipinski:0
Ghose: 1
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.42