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

Formula:C23H24N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(8-benzoyl-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-benzoyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)-3-phenylprop-2-en-1-one
MolecularFormula	C23H24N2O2S
Smiles	O=C(/C=C/c1ccccc1)N1C(CC2)(CCN2C(c2ccccc2)=O)SCC1
InChI	InChI=1S/C23H24N2O2S/c26-21(12-11-19-7-3-1-4-8-19)25-17-18-28-23(25)13-15-24(16-14-23)22(27)20-9-5-2-6-10-20/h1-12H,13-18H2
InChIK	VFQBMIKFTGWIRH-UHFFFAOYSA-N
TotalMolweight	392.522
Molweight	392.522
MonoisotopicMass	392.155848
CLogP	4.6237
CLogS	-4.573
H Acceptors	4
TotalSurfaceArea	299.08
Relative PSA	0.16942
PolarSurfaceArea	65.92
Druglikeness	3.6289
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	6
Amides	2
StereoCon

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