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ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
40973521

C[NH2+][C@H]1CCC[S@@](=O)c2c1cccc2		 Formula:C11H16NOS
Mol: 210.32
Heavy atoms:14
Aromatic heavy atoms: 6
Fraction Csp3: 0.45
Rotatable bonds: 1
H-bond acceptors: 1
H-bond donors: 1
MR: 60.18
TPSA: 52.89
ILOGP:2.18
XLOGP3: 0.87
WLOGP: 1.36
MLOGP: -2.04
Silicos ITLogP: 1.44
Consensus LogP: 0.76
 ESOL
LogS:-1.94
Solubility(mg/ml): 2.400000
Solubility(mol/l):0.011400
Class:Very soluble

Ali
LogS:-1.56
Solubility(mg/ml): 5.730000
Solubility(mol/l): 0.027200
Class:Very soluble

SilicosIT
LogS:-3.74
Solubility(mg/ml): 0.038400
Solubility(mol/l): 0.000182
Class:Soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.97
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 3.57