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ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
40974902

C[NH2+][C@H]1CCC[S@@](=O)c2c1cc(C)cc2		 Formula:C12H18NOS
Mol: 224.34
Heavy atoms:15
Aromatic heavy atoms: 6
Fraction Csp3: 0.50
Rotatable bonds: 1
H-bond acceptors: 1
H-bond donors: 1
MR: 65.15
TPSA: 52.89
ILOGP:2.44
XLOGP3: 1.24
WLOGP: 1.67
MLOGP: -1.76
Silicos ITLogP: 1.91
Consensus LogP: 1.10
 ESOL
LogS:-2.24
Solubility(mg/ml): 1.280000
Solubility(mol/l):0.005730
Class:Soluble

Ali
LogS:-1.95
Solubility(mg/ml): 2.530000
Solubility(mol/l): 0.011300
Class:Very soluble

SilicosIT
LogS:-4.13
Solubility(mg/ml): 0.016700
Solubility(mol/l): 0.000075
Class:Moderately soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.79
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 3.63