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

Formula:C20H17NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C20H17NO5
Smiles	O=C(COC(/C=C/c(cc1)cc2c1OCO2)=O)N(CC1)c2c1cccc2
InChI	InChI=1S/C20H17NO5/c22-19(21-10-9-15-3-1-2-4-16(15)21)12-24-20(23)8-6-14-5-7-17-18(11-14)26-13-25-17/h1-8,11H,9-10,12-13H2
InChIK	SSPPUYQNJPBTAY-UHFFFAOYSA-N
TotalMolweight	351.357
Molweight	351.357
MonoisotopicMass	351.110674
CLogP	3.1924
CLogS	-4.437
H Acceptors	6
TotalSurfaceArea	263.36
Relative PSA	0.22642
PolarSurfaceArea	65.07
Druglikeness	1.911
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	1
StereoCon

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