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

Formula:C22H20N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]ethyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-[2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]ethyl]prop-2-enamide
MolecularFormula	C22H20N2O6
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)NCCNC(/C=C/c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C22H20N2O6/c25-21(7-3-15-1-5-17-19(11-15)29-13-27-17)23-9-10-24-22(26)8-4-16-2-6-18-20(12-16)30-14-28-18/h1-8,11-12H,9-10,13-14H2,(H,23,25)(H,24,26)
InChIK	BVYDTVJOHYRBNM-UHFFFAOYSA-N
TotalMolweight	408.409
Molweight	408.409
MonoisotopicMass	408.132138
CLogP	2.9134
CLogS	-5.02
H Acceptors	8
H Donors	2
TotalSurfaceArea	312.48
Relative PSA	0.28482
PolarSurfaceArea	95.12
Druglikeness	0.9816
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	15
Amides	2
StereoCon

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

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