[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Formula:C25H28N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate is a drug-like molecule.

MolName	[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
MolecularFormula	C25H28N2O5S
Smiles	O=C(COC(/C=C/c(cc1)ccc1S(N1CCCCCC1)(=O)=O)=O)N(CC1)c2c1cccc2
InChI	InChI=1S/C25H28N2O5S/c28-24(27-18-15-21-7-3-4-8-23(21)27)19-32-25(29)14-11-20-9-12-22(13-10-20)33(30,31)26-16-5-1-2-6-17-26/h3-4,7-14H,1-2,5-6,15-19H2
InChIK	NKPKVSHPYUXXSS-UHFFFAOYSA-N
TotalMolweight	468.572
Molweight	468.572
MonoisotopicMass	468.171893
CLogP	3.6298
CLogS	-4.091
H Acceptors	7
TotalSurfaceArea	351.04
Relative PSA	0.20442
PolarSurfaceArea	92.37
Druglikeness	-0.23955
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	6
Amides	2
StereoCon

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1 - [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate | 2 - [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

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