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

Formula:C23H23N2O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(4-chlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3-phenylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[4-(4-chlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C23H23N2O2ClS
Smiles	O=C(/C=C/c1ccccc1)N(CC1)CCC11SCCN1C(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C23H23ClN2O2S/c24-20-9-7-19(8-10-20)22(28)26-16-17-29-23(26)12-14-25(15-13-23)21(27)11-6-18-4-2-1-3-5-18/h1-11H,12-17H2
InChIK	FQRYRPUTRYCRMZ-UHFFFAOYSA-N
TotalMolweight	426.967
Molweight	426.967
MonoisotopicMass	426.116875
CLogP	5.2297
CLogS	-5.309
H Acceptors	4
TotalSurfaceArea	314.5
Relative PSA	0.16111
PolarSurfaceArea	65.92
Druglikeness	3.6649
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	6
Amides	2
StereoCon

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