Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
2539024

O=[S@@](c1ccc2n(n1)nnn2)c1ccccc1		 Formula:C10H7N5OS
Mol: 245.26
Heavy atoms:17
Aromatic heavy atoms: 15
Fraction Csp3: 0.00
Rotatable bonds: 2
H-bond acceptors: 5
H-bond donors: 0
MR: 59.83
TPSA: 92.25
ILOGP:1.66
XLOGP3: 0.99
WLOGP: 1.55
MLOGP: 2.03
Silicos ITLogP: -0.37
Consensus LogP: 1.17
 ESOL
LogS:-2.51
Solubility(mg/ml): 0.766000
Solubility(mol/l):0.003120
Class:Soluble

Ali
LogS:-2.52
Solubility(mg/ml): 0.748000
Solubility(mol/l): 0.003050
Class:Soluble

SilicosIT
LogS:-3.51
Solubility(mg/ml): 0.076000
Solubility(mol/l): 0.000310
Class:Soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -7.09
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 3.22