(E)-3-(1,3-benzodioxol-5-yl)-N-[[3-[[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]methyl]phenyl]methyl]prop-2-enamide

Formula:C28H24N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-[[3-[[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]methyl]phenyl]methyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-[[3-[[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]methyl]phenyl]methyl]prop-2-enamide
MolecularFormula	C28H24N2O6
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)NCc1cccc(CNC(/C=C/c(cc2)cc3c2OCO3)=O)c1
InChI	InChI=1S/C28H24N2O6/c31-27(10-6-19-4-8-23-25(13-19)35-17-33-23)29-15-21-2-1-3-22(12-21)16-30-28(32)11-7-20-5-9-24-26(14-20)36-18-34-24/h1-14H,15-18H2,(H,29,31)(H,30,32)
InChIK	KOFZTNAIICLZHE-UHFFFAOYSA-N
TotalMolweight	484.507
Molweight	484.507
MonoisotopicMass	484.163438
CLogP	4.2546
CLogS	-6.434
H Acceptors	8
H Donors	2
TotalSurfaceArea	372.24
Relative PSA	0.23909
PolarSurfaceArea	95.12
Druglikeness	0.0585
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.63889
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	17
Amides	2
StereoCon

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1 - (E)-3-(1,3-benzodioxol-5-yl)-N-[[3-[[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]methyl]phenyl]methyl]prop-2-enamide | 2 - (E)-3-(1,3-benzodioxol-5-yl)-N-[[3-[[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]methyl]phenyl]methyl]prop-2-enamide

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