1-[(Z)-pyridin-4-ylmethylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine

Formula:C20H14N6O2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 1-[(Z)-pyridin-4-ylmethylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine is a drug-like molecule.

MolName	1-[(Z)-pyridin-4-ylmethylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
MolecularFormula	C20H14N6O2S2
Smiles	Nc(n(c1nc2ccccc2nc11)/N=C\c2ccncc2)c1S(c1cccs1)(=O)=O
InChI	InChI=1S/C20H14N6O2S2/c21-19-18(30(27,28)16-6-3-11-29-16)17-20(25-15-5-2-1-4-14(15)24-17)26(19)23-12-13-7-9-22-10-8-13/h1-12H,21H2
InChIK	HMSSLZJPFHAQMQ-UHFFFAOYSA-N
TotalMolweight	434.503
Molweight	434.503
MonoisotopicMass	434.061964
CLogP	2.7083
CLogS	-7.69
H Acceptors	8
H Donors	1
TotalSurfaceArea	305.26
Relative PSA	0.37837
PolarSurfaceArea	152.74
Druglikeness	3.7621
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	3
Aromatic Nitrogens	4
StereoCon

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