Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
37414326

C[NH2+][C@H](c1cccs1)Cc1cccs1		 Formula:C11H14NS2
Mol: 224.37
Heavy atoms:14
Aromatic heavy atoms: 10
Fraction Csp3: 0.27
Rotatable bonds: 4
H-bond acceptors: 0
H-bond donors: 1
MR: 65.32
TPSA: 73.09
ILOGP:2.85
XLOGP3: 2.71
WLOGP: 1.96
MLOGP: -1.47
Silicos ITLogP: 4.89
Consensus LogP: 2.19
 ESOL
LogS:-3.20
Solubility(mg/ml): 0.141000
Solubility(mol/l):0.000627
Class:Soluble

Ali
LogS:-3.90
Solubility(mg/ml): 0.028400
Solubility(mol/l): 0.000126
Class:Soluble

SilicosIT
LogS:-4.35
Solubility(mg/ml): 0.009980
Solubility(mol/l): 0.000045
Class:Moderately soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: No
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  Yes
CYP2D6:  No
CYP3A4:  No
Log kp:  -5.74
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.76