Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
42194216

O=C(C[S@@](=O)c1ccccc1N)NC1CC1
Formula:C11H14N2O2S
Mol: 238.31
Heavy atoms:16
Aromatic heavy atoms: 6
Fraction Csp3: 0.36
Rotatable bonds: 5
H-bond acceptors: 2
H-bond donors: 2
MR: 63.37
TPSA: 91.40
ILOGP:1.15
XLOGP3: 0.92
WLOGP: 1.47
MLOGP: 0.50
Silicos ITLogP: 0.34
Consensus LogP: 0.88
ESOL
LogS:-1.84
Solubility(mg/ml): 3.410000
Solubility(mol/l):0.014300
Class:Very soluble

Ali
LogS:-2.43
Solubility(mg/ml): 0.895000
Solubility(mol/l): 0.003760
Class:Soluble

SilicosIT
LogS:-3.07
Solubility(mg/ml): 0.204000
Solubility(mol/l): 0.000855
Class:Soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: No
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: 1
Leadlikeness: 1
Synthetic Accessibility: 2.67