[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C18H21NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-(cyclohexylamino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C18H21NO5
Smiles	O=C(COC(/C=C/c(cc1)cc2c1OCO2)=O)NC1CCCCC1
InChI	InChI=1S/C18H21NO5/c20-17(19-14-4-2-1-3-5-14)11-22-18(21)9-7-13-6-8-15-16(10-13)24-12-23-15/h6-10,14H,1-5,11-12H2,(H,19,20)
InChIK	VNRWFISKGHTEIE-UHFFFAOYSA-N
TotalMolweight	331.367
Molweight	331.367
MonoisotopicMass	331.141974
CLogP	2.6526
CLogS	-4.179
H Acceptors	6
H Donors	1
TotalSurfaceArea	258.54
Relative PSA	0.26124
PolarSurfaceArea	73.86
Druglikeness	-3.7136
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	2
Amides	1
StereoCon

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