(E)-1-[2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one

Formula:C24H26N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-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-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one
MolecularFormula	C24H26N2O2S
Smiles	O=C(C(C1)c2c1cccc2)N(CC1)CC1(CC1)CCN1C(/C=C/c1cscc1)=O
InChI	InChI=1S/C24H26N2O2S/c27-22(6-5-18-7-14-29-16-18)25-11-8-24(9-12-25)10-13-26(17-24)23(28)21-15-19-3-1-2-4-20(19)21/h1-7,14,16,21H,8-13,15,17H2/t21-/m1/s1
InChIK	SVNMYUGRAQHXBY-OAQYLSRUSA-N
TotalMolweight	406.548
Molweight	406.548
MonoisotopicMass	406.171498
CLogP	4.4394
CLogS	-3.895
H Acceptors	4
TotalSurfaceArea	304.05
Relative PSA	0.17609
PolarSurfaceArea	68.86
Druglikeness	5.7292
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	2
Amides	2
StereoCon	racemate

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1 - (E)-1-[2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one | 2 - (E)-1-[2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one

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