(E)-3-(1,3-benzodioxol-5-yl)-N-[4-[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide

Formula:C32H24N2O7 Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-[4-[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-[4-[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
MolecularFormula	C32H24N2O7
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)Nc(cc1)ccc1Oc(cc1)ccc1NC(/C=C/c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C32H24N2O7/c35-31(15-3-21-1-13-27-29(17-21)39-19-37-27)33-23-5-9-25(10-6-23)41-26-11-7-24(8-12-26)34-32(36)16-4-22-2-14-28-30(18-22)40-20-38-28/h1-18H,19-20H2,(H,33,35)(H,34,36)
InChIK	FXUUXJWBLXIJTB-UHFFFAOYSA-N
TotalMolweight	548.55
Molweight	548.55
MonoisotopicMass	548.158353
CLogP	6.2314
CLogS	-9.099
H Acceptors	9
H Donors	2
TotalSurfaceArea	414.48
Relative PSA	0.23885
PolarSurfaceArea	104.35
Druglikeness	-0.47528
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.65854
Fragments	1
Non HAtoms	41
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	7
Symmetricatoms	22
Amides	2
StereoCon

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1 - (E)-3-(1,3-benzodioxol-5-yl)-N-[4-[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide | 2 - (E)-3-(1,3-benzodioxol-5-yl)-N-[4-[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide

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