Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
77295197

[O-]C(=O)C[C@@](Cc1ccccn1)([NH3+])C		 Formula:C10H14N2O2
Mol: 194.23
Heavy atoms:14
Aromatic heavy atoms: 6
Fraction Csp3: 0.40
Rotatable bonds: 4
H-bond acceptors: 3
H-bond donors: 1
MR: 52.26
TPSA: 80.66
ILOGP:1.44
XLOGP3: -2.32
WLOGP: -1.24
MLOGP: -3.52
Silicos ITLogP: 0.90
Consensus LogP: -0.95
 ESOL
LogS:0.36
Solubility(mg/ml): 9.999999
Solubility(mol/l):2.310000
Class:Highly soluble

Ali
LogS:1.16
Solubility(mg/ml): 9.999999
Solubility(mol/l): 9.999999
Class:Highly soluble

SilicosIT
LogS:-2.29
Solubility(mg/ml): 0.998000
Solubility(mol/l): 0.005140
Class:Soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -9.13
Lipinski:0
Ghose: 1
Veber: 0
Egan: 0
Muegge: 2
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.19