8-[3-(4-chlorophenyl)sulfonyl-6-fluoroquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

Formula:C22H20N2O4ClFS Mutagenic:high Tumorigenic:none Reproductive Effective:none 8-[3-(4-chlorophenyl)sulfonyl-6-fluoroquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is a drug-like molecule.

MolName	8-[3-(4-chlorophenyl)sulfonyl-6-fluoroquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
MolecularFormula	C22H20N2O4ClFS
Smiles	O=S(c(cc1)ccc1Cl)(c(cnc(c1c2)ccc2F)c1N(CC1)CCC11OCCO1)=O
InChI	InChI=1S/C22H20ClFN2O4S/c23-15-1-4-17(5-2-15)31(27,28)20-14-25-19-6-3-16(24)13-18(19)21(20)26-9-7-22(8-10-26)29-11-12-30-22/h1-6,13-14H,7-12H2
InChIK	VESQNQFXXQDPFR-UHFFFAOYSA-N
TotalMolweight	462.928
Molweight	462.928
MonoisotopicMass	462.081633
CLogP	3.374
CLogS	-5.586
H Acceptors	6
TotalSurfaceArea	313
Relative PSA	0.2016
PolarSurfaceArea	77.11
Druglikeness	-3.4592
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	11
Symmetricatoms	7
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon

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