[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C23H24N2O5 Mutagenic:high Tumorigenic:high Reproductive Effective:high [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C23H24N2O5
Smiles	O=C(COC(/C=C/c(cc1)cc2c1OCO2)=O)Nc(cc1)ccc1N1CCCCC1
InChI	InChI=1S/C23H24N2O5/c26-22(24-18-6-8-19(9-7-18)25-12-2-1-3-13-25)15-28-23(27)11-5-17-4-10-20-21(14-17)30-16-29-20/h4-11,14H,1-3,12-13,15-16H2,(H,24,26)
InChIK	DTKRQXCNBUXTFW-UHFFFAOYSA-N
TotalMolweight	408.453
Molweight	408.453
MonoisotopicMass	408.168523
CLogP	3.6386
CLogS	-5.104
H Acceptors	7
H Donors	1
TotalSurfaceArea	316.1
Relative PSA	0.2249
PolarSurfaceArea	77.1
Druglikeness	0.21912
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	4
Amides	1
Amines	1
Aromatic Amines	1
StereoCon

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