5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis[3-[(E)-3-phenylprop-2-enoyl]phenyl]benzene-1,3-dicarboxamide

Formula:C46H31N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis[3-[(E)-3-phenylprop-2-enoyl]phenyl]benzene-1,3-dicarboxamide is not a drug-like molecule.

MolName	5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis[3-[(E)-3-phenylprop-2-enoyl]phenyl]benzene-1,3-dicarboxamide
MolecularFormula	C46H31N3O6
Smiles	O=C(/C=C/c1ccccc1)c1cccc(NC(c2cc(N(C(c3c4cccc3)=O)C4=O)cc(C(Nc3cc(C(/C=C/c4ccccc4)=O)ccc3)=O)c2)=O)c1
InChI	InChI=1S/C46H31N3O6/c50-41(23-21-30-11-3-1-4-12-30)32-15-9-17-36(26-32)47-43(52)34-25-35(29-38(28-34)49-45(54)39-19-7-8-20-40(39)46(49)55)44(53)48-37-18-10-16-33(27-37)42(51)24-22-31-13-5-2-6-14-31/h1-29H,(H,47,52)(H,48,53)
InChIK	GAJUNDCBDPSNHK-UHFFFAOYSA-N
TotalMolweight	721.767
Molweight	721.767
MonoisotopicMass	721.221287
CLogP	8.0722
CLogS	-10.942
H Acceptors	9
H Donors	2
TotalSurfaceArea	551.28
Relative PSA	0.18994
PolarSurfaceArea	129.72
Druglikeness	3.1165
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.49091
Fragments	1
Non HAtoms	55
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	11
Rings Closures	7
Small Rings	7
Aromatic Rings	6
Aromatic Atoms	36
Symmetricatoms	28
Amides	3
StereoCon

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