(E)-N-[3-(benzenesulfonyl)-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-(3-nitrophenyl)prop-2-enamide

Formula:C33H25N5O5S Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-N-[3-(benzenesulfonyl)-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-(3-nitrophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[3-(benzenesulfonyl)-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C33H25N5O5S
Smiles	[O-][N+](c1cccc(/C=C/C(Nc(n(CCc2ccccc2)c2nc3ccccc3nc22)c2S(c2ccccc2)(=O)=O)=O)c1)=O
InChI	InChI=1S/C33H25N5O5S/c39-29(19-18-24-12-9-13-25(22-24)38(40)41)36-33-31(44(42,43)26-14-5-2-6-15-26)30-32(35-28-17-8-7-16-27(28)34-30)37(33)21-20-23-10-3-1-4-11-23/h1-19,22H,20-21H2,(H,36,39)
InChIK	SANRUDDVELAGGO-UHFFFAOYSA-N
TotalMolweight	603.658
Molweight	603.658
MonoisotopicMass	603.15764
CLogP	4.9844
CLogS	-7.893
H Acceptors	10
H Donors	1
TotalSurfaceArea	443.94
Relative PSA	0.25298
PolarSurfaceArea	148.15
Druglikeness	-10.385
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.38636
Fragments	1
Non HAtoms	44
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	31
Sp3Atoms	4
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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