N-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide

Formula:C22H20N3OF5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide is not a drug-like molecule.

MolName	N-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide
MolecularFormula	C22H20N3OF5S2
Smiles	O=C(/C=C/c1cscc1)N1CCC(CC2)(CN2C(Nc(c(F)c(c(F)c2F)F)c2F)=S)CC1
InChI	InChI=1S/C22H20F5N3OS2/c23-15-16(24)18(26)20(19(27)17(15)25)28-21(32)30-9-6-22(12-30)4-7-29(8-5-22)14(31)2-1-13-3-10-33-11-13/h1-3,10-11H,4-9,12H2,(H,28,32)
InChIK	ATJBQGRNSCXMAL-UHFFFAOYSA-N
TotalMolweight	501.543
Molweight	501.543
MonoisotopicMass	501.096792
CLogP	4.9436
CLogS	-5.683
H Acceptors	4
H Donors	1
TotalSurfaceArea	349.46
Relative PSA	0.22881
PolarSurfaceArea	95.91
Druglikeness	3.6556
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea; polyhalo aromatic ring
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	6
Amides	1
StereoCon

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1 - N-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide | 2 - N-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide

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