3-(benzenesulfonyl)-6-fluoro-4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline

Formula:C25H21N3O2F2S Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-(benzenesulfonyl)-6-fluoro-4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline is a drug-like molecule.

MolName	3-(benzenesulfonyl)-6-fluoro-4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline
MolecularFormula	C25H21N3O2F2S
Smiles	O=S(c1ccccc1)(c(cnc(c1c2)ccc2F)c1N(CC1)CCN1c(cc1)ccc1F)=O
InChI	InChI=1S/C25H21F2N3O2S/c26-18-6-9-20(10-7-18)29-12-14-30(15-13-29)25-22-16-19(27)8-11-23(22)28-17-24(25)33(31,32)21-4-2-1-3-5-21/h1-11,16-17H,12-15H2
InChIK	XRBCAAWTMYTAQX-UHFFFAOYSA-N
TotalMolweight	465.523
Molweight	465.523
MonoisotopicMass	465.132253
CLogP	4.156
CLogS	-5.936
H Acceptors	5
TotalSurfaceArea	329.56
Relative PSA	0.14155
PolarSurfaceArea	61.89
Druglikeness	-5.4296
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	6
Symmetricatoms	7
Amines	2
Aromatic Amines	2
Aromatic Nitrogens	1
StereoCon

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