N-[3-[(E)-3-[4-[(E)-3-[3-[(3,5-dinitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]-3,5-dinitrobenzamide

Formula:C38H24N6O12 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[3-[(E)-3-[4-[(E)-3-[3-[(3,5-dinitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]-3,5-dinitrobenzamide is not a drug-like molecule.

MolName	N-[3-[(E)-3-[4-[(E)-3-[3-[(3,5-dinitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]-3,5-dinitrobenzamide
MolecularFormula	C38H24N6O12
Smiles	[O-][N+](c1cc(C(Nc2cccc(C(/C=C/c3ccc(/C=C/C(c4cccc(NC(c5cc([N+]([O-])=O)cc([N+]([O-])=O)c5)=O)c4)=O)cc3)=O)c2)=O)cc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C38H24N6O12/c45-35(25-3-1-5-29(15-25)39-37(47)27-17-31(41(49)50)21-32(18-27)42(51)52)13-11-23-7-9-24(10-8-23)12-14-36(46)26-4-2-6-30(16-26)40-38(48)28-19-33(43(53)54)22-34(20-28)44(55)56/h1-22H,(H,39,47)(H,40,48)
InChIK	LRTDBEJFCISASC-UHFFFAOYSA-N
TotalMolweight	756.639
Molweight	756.639
MonoisotopicMass	756.145224
CLogP	3.5566
CLogS	-10.928
H Acceptors	18
H Donors	2
TotalSurfaceArea	553.9
Relative PSA	0.35523
PolarSurfaceArea	275.62
Druglikeness	-3.1197
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	56
NonCHAtoms	18
Electronegative Atoms	18
Rotatable Bond	14
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	30
Sp3Atoms	4
Symmetricatoms	34
Amides	2
AcidicOxygens	4
StereoCon

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1 - N-[3-[(E)-3-[4-[(E)-3-[3-[(3,5-dinitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]-3,5-dinitrobenzamide | 2 - N-[3-[(E)-3-[4-[(E)-3-[3-[(3,5-dinitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]-3,5-dinitrobenzamide

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