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ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
40975904

CC(c1ccc2c(c1)[C@@H]([NH3+])CCC[S@]2=O)C		 Formula:C13H20NOS
Mol: 238.37
Heavy atoms:16
Aromatic heavy atoms: 6
Fraction Csp3: 0.54
Rotatable bonds: 1
H-bond acceptors: 1
H-bond donors: 1
MR: 69.86
TPSA: 63.92
ILOGP:2.37
XLOGP3: 1.49
WLOGP: 2.54
MLOGP: -1.49
Silicos ITLogP: 2.02
Consensus LogP: 1.39
 ESOL
LogS:-2.47
Solubility(mg/ml): 0.811000
Solubility(mol/l):0.003400
Class:Soluble

Ali
LogS:-2.44
Solubility(mg/ml): 0.866000
Solubility(mol/l): 0.003630
Class:Soluble

SilicosIT
LogS:-3.77
Solubility(mg/ml): 0.040900
Solubility(mol/l): 0.000172
Class:Soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.70
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 3.80