(E)-3-phenyl-1-[8-(2-phenylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]prop-2-en-1-one

Formula:C24H26N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-phenyl-1-[8-(2-phenylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-phenyl-1-[8-(2-phenylacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]prop-2-en-1-one
MolecularFormula	C24H26N2O2S
Smiles	O=C(Cc1ccccc1)N(CC1)CCC11SCCN1C(/C=C/c1ccccc1)=O
InChI	InChI=1S/C24H26N2O2S/c27-22(12-11-20-7-3-1-4-8-20)26-17-18-29-24(26)13-15-25(16-14-24)23(28)19-21-9-5-2-6-10-21/h1-12H,13-19H2
InChIK	RQJPBYSKIZFSSD-UHFFFAOYSA-N
TotalMolweight	406.548
Molweight	406.548
MonoisotopicMass	406.171498
CLogP	4.6218
CLogS	-4.538
H Acceptors	4
TotalSurfaceArea	312.84
Relative PSA	0.16197
PolarSurfaceArea	65.92
Druglikeness	3.5685
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	6
Amides	2
StereoCon

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