(E)-1-[2-(2,6-dichloropyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one

Formula:C21H21N3O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-(2,6-dichloropyridine-3-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-(2,6-dichloropyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one
MolecularFormula	C21H21N3O2Cl2S
Smiles	O=C(/C=C/c1cscc1)N1CCC(CC2)(CN2C(c(c(Cl)n2)ccc2Cl)=O)CC1
InChI	InChI=1S/C21H21Cl2N3O2S/c22-17-3-2-16(19(23)24-17)20(28)26-11-8-21(14-26)6-9-25(10-7-21)18(27)4-1-15-5-12-29-13-15/h1-5,12-13H,6-11,14H2
InChIK	RHGUAPCPCMSSQZ-UHFFFAOYSA-N
TotalMolweight	450.389
Molweight	450.389
MonoisotopicMass	449.073151
CLogP	4.4549
CLogS	-3.716
H Acceptors	5
TotalSurfaceArea	320.89
Relative PSA	0.20103
PolarSurfaceArea	81.75
Druglikeness	5.2224
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - (E)-1-[2-(2,6-dichloropyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one | 2 - (E)-1-[2-(2,6-dichloropyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one

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