(E)-3-(1,3-benzodioxol-5-yl)-1-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]prop-2-en-1-one

Formula:C26H18O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-1-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]prop-2-en-1-one
MolecularFormula	C26H18O6
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)c(cc1)ccc1C(/C=C/c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C26H18O6/c27-21(9-1-17-3-11-23-25(13-17)31-15-29-23)19-5-7-20(8-6-19)22(28)10-2-18-4-12-24-26(14-18)32-16-30-24/h1-14H,15-16H2
InChIK	MCGKCNNVXULKEU-UHFFFAOYSA-N
TotalMolweight	426.423
Molweight	426.423
MonoisotopicMass	426.11034
CLogP	5.1708
CLogS	-7.486
H Acceptors	6
TotalSurfaceArea	321.8
Relative PSA	0.20534
PolarSurfaceArea	71.06
Druglikeness	0.0575
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	17
StereoCon

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