benzyl 2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate

Formula:C26H22N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high benzyl 2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate is a drug-like molecule.

MolName	benzyl 2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate
MolecularFormula	C26H22N2O6
Smiles	O=C(CNC(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)=O)OCc1ccccc1
InChI	InChI=1S/C26H22N2O6/c29-24(32-16-18-7-3-1-4-8-18)15-27-26(31)21(28-25(30)20-9-5-2-6-10-20)13-19-11-12-22-23(14-19)34-17-33-22/h1-14H,15-17H2,(H,27,31)(H,28,30)
InChIK	GIAWIUGCWXLORA-UHFFFAOYSA-N
TotalMolweight	458.469
Molweight	458.469
MonoisotopicMass	458.147788
CLogP	3.8025
CLogS	-5.303
H Acceptors	8
H Donors	2
TotalSurfaceArea	351.44
Relative PSA	0.26189
PolarSurfaceArea	102.96
Druglikeness	1.9567
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	4
Amides	2
StereoCon

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1 - benzyl 2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate | 2 - benzyl 2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate

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