3-[(E)-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethenyl]-1H-quinoxalin-2-one

Formula:C17H12N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(E)-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethenyl]-1H-quinoxalin-2-one is a drug-like molecule.

MolName	3-[(E)-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethenyl]-1H-quinoxalin-2-one
MolecularFormula	C17H12N4OS
Smiles	O=C1Nc(cccc2)c2N=C1/C=C/N(c(cccc1)c1N1)C1=S
InChI	InChI=1S/C17H12N4OS/c22-16-14(18-11-5-1-2-6-12(11)19-16)9-10-21-15-8-4-3-7-13(15)20-17(21)23/h1-10H,(H,19,22)(H,20,23)
InChIK	DETTWLLIHVOHGS-UHFFFAOYSA-N
TotalMolweight	320.375
Molweight	320.375
MonoisotopicMass	320.073181
CLogP	1.3691
CLogS	-4.44
H Acceptors	5
H Donors	2
TotalSurfaceArea	239.17
Relative PSA	0.33039
PolarSurfaceArea	88.82
Druglikeness	3.4464
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Amides	1
StereoCon

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