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

Formula:C23H30N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C23H30N2O2S
Smiles	O=C(C1CCCCC1)N1C(CC2)(CCN2C(/C=C/c2ccccc2)=O)SCC1
InChI	InChI=1S/C23H30N2O2S/c26-21(12-11-19-7-3-1-4-8-19)24-15-13-23(14-16-24)25(17-18-28-23)22(27)20-9-5-2-6-10-20/h1,3-4,7-8,11-12,20H,2,5-6,9-10,13-18H2
InChIK	HEWXVSKJSWZFCK-UHFFFAOYSA-N
TotalMolweight	398.569
Molweight	398.569
MonoisotopicMass	398.202798
CLogP	4.524
CLogS	-4.729
H Acceptors	4
TotalSurfaceArea	307.12
Relative PSA	0.16498
PolarSurfaceArea	65.92
Druglikeness	-0.90509
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
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	1
Aromatic Atoms	6
Sp3Atoms	14
Symmetricatoms	6
Amides	2
StereoCon

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