N-[(E)-3-[2-[[(E)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]amino]ethylamino]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C34H28N6O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-[2-[[(E)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]amino]ethylamino]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-3-[2-[[(E)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]amino]ethylamino]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C34H28N6O8
Smiles	[O-][N+](c1ccc(/C=C(\C(NCCNC(/C(/NC(c2ccccc2)=O)=C\c(cc2)ccc2[N+]([O-])=O)=O)=O)/NC(c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C34H28N6O8/c41-31(25-7-3-1-4-8-25)37-29(21-23-11-15-27(16-12-23)39(45)46)33(43)35-19-20-36-34(44)30(38-32(42)26-9-5-2-6-10-26)22-24-13-17-28(18-14-24)40(47)48/h1-18,21-22H,19-20H2,(H,35,43)(H,36,44)(H,37,41)(H,38,42)
InChIK	WZQBFVFMWIFZEG-UHFFFAOYSA-N
TotalMolweight	648.63
Molweight	648.63
MonoisotopicMass	648.196864
CLogP	3.4224
CLogS	-7.268
H Acceptors	14
H Donors	4
TotalSurfaceArea	493.66
Relative PSA	0.32176
PolarSurfaceArea	208.04
Druglikeness	-0.86552
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45833
Fragments	1
Non HAtoms	48
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	13
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	28
Amides	4
AcidicOxygens	2
StereoCon

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1 - N-[(E)-3-[2-[[(E)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]amino]ethylamino]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-[2-[[(E)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]amino]ethylamino]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

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