Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
2642309

N#Cc1ccsc1NC(=O)c1ccco1
Formula:C10H6N2O2S
Mol: 218.23
Heavy atoms:15
Aromatic heavy atoms: 10
Fraction Csp3: 0.00
Rotatable bonds: 3
H-bond acceptors: 3
H-bond donors: 1
MR: 55.51
TPSA: 94.27
ILOGP:1.73
XLOGP3: 2.44
WLOGP: 2.27
MLOGP: 0.04
Silicos ITLogP: 2.64
Consensus LogP: 1.83
ESOL
LogS:-3.03
Solubility(mg/ml): 0.206000
Solubility(mol/l):0.000943
Class:Soluble

Ali
LogS:-4.06
Solubility(mg/ml): 0.018900
Solubility(mol/l): 0.000087
Class:Moderately soluble

SilicosIT
LogS:-3.49
Solubility(mg/ml): 0.070500
Solubility(mol/l): 0.000323
Class:Soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  Yes
CYP2C9:  Yes
CYP2D6:  No
CYP3A4:  No
Log kp:  -5.90
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.63