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

Formula:C22H28N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(cyclopentanecarbonyl)-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-(cyclopentanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C22H28N2O2S
Smiles	O=C(C1CCCC1)N1C(CC2)(CCN2C(/C=C/c2ccccc2)=O)SCC1
InChI	InChI=1S/C22H28N2O2S/c25-20(11-10-18-6-2-1-3-7-18)23-14-12-22(13-15-23)24(16-17-27-22)21(26)19-8-4-5-9-19/h1-3,6-7,10-11,19H,4-5,8-9,12-17H2
InChIK	DVTYVKBGNLNYLP-UHFFFAOYSA-N
TotalMolweight	384.542
Molweight	384.542
MonoisotopicMass	384.187148
CLogP	4.182
CLogS	-4.459
H Acceptors	4
TotalSurfaceArea	293.36
Relative PSA	0.17272
PolarSurfaceArea	65.92
Druglikeness	1.5395
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	13
Symmetricatoms	6
Amides	2
StereoCon

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

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