(E)-1-[8-(2-phenoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylprop-2-en-1-one

Formula:C24H26N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[8-(2-phenoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[8-(2-phenoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C24H26N2O3S
Smiles	O=C(COc1ccccc1)N(CC1)CCC11SCCN1C(/C=C/c1ccccc1)=O
InChI	InChI=1S/C24H26N2O3S/c27-22(12-11-20-7-3-1-4-8-20)26-17-18-30-24(26)13-15-25(16-14-24)23(28)19-29-21-9-5-2-6-10-21/h1-12H,13-19H2
InChIK	XJXLWWROVBBPTL-UHFFFAOYSA-N
TotalMolweight	422.547
Molweight	422.547
MonoisotopicMass	422.166413
CLogP	4.1986
CLogS	-4.353
H Acceptors	5
TotalSurfaceArea	322.84
Relative PSA	0.18793
PolarSurfaceArea	75.15
Druglikeness	3.5665
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	6
Amides	2
StereoCon

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