3-nitro-N-[3-[(E)-3-[4-[(E)-3-[3-[(3-nitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]benzamide

Formula:C38H26N4O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-nitro-N-[3-[(E)-3-[4-[(E)-3-[3-[(3-nitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]benzamide is not a drug-like molecule.

MolName	3-nitro-N-[3-[(E)-3-[4-[(E)-3-[3-[(3-nitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]benzamide
MolecularFormula	C38H26N4O8
Smiles	[O-][N+](c1cccc(C(Nc2cccc(C(/C=C/c3ccc(/C=C/C(c4cccc(NC(c5cccc([N+]([O-])=O)c5)=O)c4)=O)cc3)=O)c2)=O)c1)=O
InChI	InChI=1S/C38H26N4O8/c43-35(27-5-1-9-31(21-27)39-37(45)29-7-3-11-33(23-29)41(47)48)19-17-25-13-15-26(16-14-25)18-20-36(44)28-6-2-10-32(22-28)40-38(46)30-8-4-12-34(24-30)42(49)50/h1-24H,(H,39,45)(H,40,46)
InChIK	YFGZGTKFTXWVGS-UHFFFAOYSA-N
TotalMolweight	666.644
Molweight	666.644
MonoisotopicMass	666.175066
CLogP	5.3998
CLogS	-10.008
H Acceptors	12
H Donors	2
TotalSurfaceArea	506.56
Relative PSA	0.26832
PolarSurfaceArea	183.98
Druglikeness	-3.1197
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	50
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	12
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	30
Sp3Atoms	2
Symmetricatoms	26
Amides	2
AcidicOxygens	2
StereoCon

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1 - 3-nitro-N-[3-[(E)-3-[4-[(E)-3-[3-[(3-nitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]benzamide | 2 - 3-nitro-N-[3-[(E)-3-[4-[(E)-3-[3-[(3-nitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]benzamide

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