(E)-1-[2-(3,4-dihydro-2H-pyran-5-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one

Formula:C21H28N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-(3,4-dihydro-2H-pyran-5-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-(3,4-dihydro-2H-pyran-5-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one
MolecularFormula	C21H28N2O2S
Smiles	O=C(/C=C/c1cscc1)N1CCC2(CN(CC3=COCCC3)CC2)CC1
InChI	InChI=1S/C21H28N2O2S/c24-20(4-3-18-5-13-26-16-18)23-10-7-21(8-11-23)6-9-22(17-21)14-19-2-1-12-25-15-19/h3-5,13,15-16H,1-2,6-12,14,17H2
InChIK	DPUGRPPHHLBTPG-UHFFFAOYSA-N
TotalMolweight	372.531
Molweight	372.531
MonoisotopicMass	372.187148
CLogP	3.0383
CLogS	-2.986
H Acceptors	4
TotalSurfaceArea	290.03
Relative PSA	0.17412
PolarSurfaceArea	61.02
Druglikeness	0.86873
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	14
Symmetricatoms	2
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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1 - (E)-1-[2-(3,4-dihydro-2H-pyran-5-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one | 2 - (E)-1-[2-(3,4-dihydro-2H-pyran-5-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one

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