3-[(E)-2-(4-oxo-2-sulfanylidenepyrimidin-1-yl)ethenyl]-1H-quinoxalin-2-one

Formula:C14H10N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(E)-2-(4-oxo-2-sulfanylidenepyrimidin-1-yl)ethenyl]-1H-quinoxalin-2-one is a drug-like molecule.

MolName	3-[(E)-2-(4-oxo-2-sulfanylidenepyrimidin-1-yl)ethenyl]-1H-quinoxalin-2-one
MolecularFormula	C14H10N4O2S
Smiles	O=C(C=CN1/C=C/C2=Nc(cccc3)c3NC2=O)NC1=S
InChI	InChI=1S/C14H10N4O2S/c19-12-6-8-18(14(21)17-12)7-5-11-13(20)16-10-4-2-1-3-9(10)15-11/h1-8H,(H,16,20)(H,17,19,21)
InChIK	NZMAQPWKXLWBCR-UHFFFAOYSA-N
TotalMolweight	298.325
Molweight	298.325
MonoisotopicMass	298.052446
CLogP	-0.3288
CLogS	-2.796
H Acceptors	6
H Donors	2
TotalSurfaceArea	223.66
Relative PSA	0.41161
PolarSurfaceArea	105.89
Druglikeness	1.9374
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Amides	2
StereoCon

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