Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
36394407

N#Cc1ccsc1NC(=O)c1ccc(o1)C
Formula:C11H8N2O2S
Mol: 232.26
Heavy atoms:16
Aromatic heavy atoms: 10
Fraction Csp3: 0.09
Rotatable bonds: 3
H-bond acceptors: 3
H-bond donors: 1
MR: 60.48
TPSA: 94.27
ILOGP:2.15
XLOGP3: 2.84
WLOGP: 2.58
MLOGP: 0.34
Silicos ITLogP: 3.12
Consensus LogP: 2.21
ESOL
LogS:-3.33
Solubility(mg/ml): 0.108000
Solubility(mol/l):0.000464
Class:Soluble

Ali
LogS:-4.48
Solubility(mg/ml): 0.007730
Solubility(mol/l): 0.000033
Class:Moderately soluble

SilicosIT
LogS:-3.88
Solubility(mg/ml): 0.030700
Solubility(mol/l): 0.000132
Class:Soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  Yes
CYP2C9:  Yes
CYP2D6:  No
CYP3A4:  No
Log kp:  -5.70
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.78