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

Formula:C22H21N2O4FS Mutagenic:high Tumorigenic:none Reproductive Effective:none 8-[3-(benzenesulfonyl)-6-fluoroquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is a drug-like molecule.

MolName	8-[3-(benzenesulfonyl)-6-fluoroquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
MolecularFormula	C22H21N2O4FS
Smiles	O=S(c1ccccc1)(c(cnc(c1c2)ccc2F)c1N(CC1)CCC11OCCO1)=O
InChI	InChI=1S/C22H21FN2O4S/c23-16-6-7-19-18(14-16)21(25-10-8-22(9-11-25)28-12-13-29-22)20(15-24-19)30(26,27)17-4-2-1-3-5-17/h1-7,14-15H,8-13H2
InChIK	ILIIXJYPOBIXIO-UHFFFAOYSA-N
TotalMolweight	428.483
Molweight	428.483
MonoisotopicMass	428.120606
CLogP	2.768
CLogS	-4.85
H Acceptors	6
TotalSurfaceArea	297.58
Relative PSA	0.21204
PolarSurfaceArea	77.11
Druglikeness	-12.328
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
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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