(E)-3-(3-nitrophenyl)-N-[[3-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]methyl]phenyl]methyl]prop-2-enamide

Formula:C26H22N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-nitrophenyl)-N-[[3-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]methyl]phenyl]methyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(3-nitrophenyl)-N-[[3-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]methyl]phenyl]methyl]prop-2-enamide
MolecularFormula	C26H22N4O6
Smiles	[O-][N+](c1cccc(/C=C/C(NCc2cccc(CNC(/C=C/c3cccc([N+]([O-])=O)c3)=O)c2)=O)c1)=O
InChI	InChI=1S/C26H22N4O6/c31-25(12-10-19-4-2-8-23(15-19)29(33)34)27-17-21-6-1-7-22(14-21)18-28-26(32)13-11-20-5-3-9-24(16-20)30(35)36/h1-16H,17-18H2,(H,27,31)(H,28,32)
InChIK	ABTXGRCBKKFMGF-UHFFFAOYSA-N
TotalMolweight	486.483
Molweight	486.483
MonoisotopicMass	486.153936
CLogP	2.1886
CLogS	-5.932
H Acceptors	10
H Donors	2
TotalSurfaceArea	379.06
Relative PSA	0.28977
PolarSurfaceArea	149.84
Druglikeness	-4.9887
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63889
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	17
Amides	2
AcidicOxygens	2
StereoCon

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1 - (E)-3-(3-nitrophenyl)-N-[[3-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]methyl]phenyl]methyl]prop-2-enamide | 2 - (E)-3-(3-nitrophenyl)-N-[[3-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]methyl]phenyl]methyl]prop-2-enamide

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