(E)-1-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)-3-(2,3,4-trifluorophenyl)prop-2-en-1-one

Formula:C21H21N2O3F3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)-3-(2,3,4-trifluorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)-3-(2,3,4-trifluorophenyl)prop-2-en-1-one
MolecularFormula	C21H21N2O3F3S2
Smiles	O=C(/C=C/c(ccc(F)c1F)c1F)N(CC1)CC1(CC1)CCN1S(c1cccs1)(=O)=O
InChI	InChI=1S/C21H21F3N2O3S2/c22-16-5-3-15(19(23)20(16)24)4-6-17(27)25-10-7-21(14-25)8-11-26(12-9-21)31(28,29)18-2-1-13-30-18/h1-6,13H,7-12,14H2
InChIK	NWYDIFAZCLGFQQ-UHFFFAOYSA-N
TotalMolweight	470.535
Molweight	470.535
MonoisotopicMass	470.094567
CLogP	3.9246
CLogS	-3.968
H Acceptors	5
TotalSurfaceArea	321.17
Relative PSA	0.21509
PolarSurfaceArea	94.31
Druglikeness	4.1957
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	3
Amides	2
StereoCon

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1 - (E)-1-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)-3-(2,3,4-trifluorophenyl)prop-2-en-1-one | 2 - (E)-1-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)-3-(2,3,4-trifluorophenyl)prop-2-en-1-one

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