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ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
19271521

Cc1csc(n1)NC(=O)c1cccc(c1N)C
Formula:C12H13N3OS
Mol: 247.32
Heavy atoms:17
Aromatic heavy atoms: 11
Fraction Csp3: 0.17
Rotatable bonds: 3
H-bond acceptors: 2
H-bond donors: 2
MR: 70.66
TPSA: 96.25
ILOGP:1.86
XLOGP3: 2.76
WLOGP: 2.41
MLOGP: 1.33
Silicos ITLogP: 2.95
Consensus LogP: 2.26
ESOL
LogS:-3.39
Solubility(mg/ml): 0.100000
Solubility(mol/l):0.000405
Class:Soluble

Ali
LogS:-4.44
Solubility(mg/ml): 0.009050
Solubility(mol/l): 0.000037
Class:Moderately soluble

SilicosIT
LogS:-4.23
Solubility(mg/ml): 0.014500
Solubility(mol/l): 0.000059
Class:Moderately soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  Yes
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -5.85
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 1
Leadlikeness: 1
Synthetic Accessibility: 2.34