3-(4-chlorophenyl)sulfonyl-6-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]quinoline

Formula:C25H20N3O2ClF2S Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]quinoline is a drug-like molecule.

MolName	3-(4-chlorophenyl)sulfonyl-6-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]quinoline
MolecularFormula	C25H20N3O2ClF2S
Smiles	O=S(c(cc1)ccc1Cl)(c(cnc(c1c2)ccc2F)c1N(CC1)CCN1c(cccc1)c1F)=O
InChI	InChI=1S/C25H20ClF2N3O2S/c26-17-5-8-19(9-6-17)34(32,33)24-16-29-22-10-7-18(27)15-20(22)25(24)31-13-11-30(12-14-31)23-4-2-1-3-21(23)28/h1-10,15-16H,11-14H2
InChIK	CUBHFBMZBQCFIX-UHFFFAOYSA-N
TotalMolweight	499.968
Molweight	499.968
MonoisotopicMass	499.09328
CLogP	4.762
CLogS	-6.672
H Acceptors	5
TotalSurfaceArea	344.98
Relative PSA	0.13523
PolarSurfaceArea	61.89
Druglikeness	4.1527
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47059
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	7
Symmetricatoms	5
Amines	2
Aromatic Amines	2
Aromatic Nitrogens	1
StereoCon

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