[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C21H19NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C21H19NO5
Smiles	O=C(COC(/C=C/c(cc1)cc2c1OCO2)=O)N(CCC1)c2c1cccc2
InChI	InChI=1S/C21H19NO5/c23-20(22-11-3-5-16-4-1-2-6-17(16)22)13-25-21(24)10-8-15-7-9-18-19(12-15)27-14-26-18/h1-2,4,6-10,12H,3,5,11,13-14H2
InChIK	UHRVYRVXGNWUHR-UHFFFAOYSA-N
TotalMolweight	365.384
Molweight	365.384
MonoisotopicMass	365.126324
CLogP	3.5344
CLogS	-4.707
H Acceptors	6
TotalSurfaceArea	277.12
Relative PSA	0.21518
PolarSurfaceArea	65.07
Druglikeness	1.0326
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Amides	1
StereoCon

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