(E)-3-(1,3-benzodioxol-5-yl)-N-[7-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]heptyl]prop-2-enamide

Formula:C27H30N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-[7-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]heptyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-[7-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]heptyl]prop-2-enamide
MolecularFormula	C27H30N2O6
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)NCCCCCCCNC(/C=C/c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C27H30N2O6/c30-26(12-8-20-6-10-22-24(16-20)34-18-32-22)28-14-4-2-1-3-5-15-29-27(31)13-9-21-7-11-23-25(17-21)35-19-33-23/h6-13,16-17H,1-5,14-15,18-19H2,(H,28,30)(H,29,31)
InChIK	ZUFNEUXOUQENGO-UHFFFAOYSA-N
TotalMolweight	478.543
Molweight	478.543
MonoisotopicMass	478.210388
CLogP	5.1854
CLogS	-6.37
H Acceptors	8
H Donors	2
TotalSurfaceArea	381.28
Relative PSA	0.23342
PolarSurfaceArea	95.12
Druglikeness	-6.2325
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	12
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	17
Amides	2
StereoCon

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1 - (E)-3-(1,3-benzodioxol-5-yl)-N-[7-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]heptyl]prop-2-enamide | 2 - (E)-3-(1,3-benzodioxol-5-yl)-N-[7-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]heptyl]prop-2-enamide

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