8-(benzenesulfonyl)-9-(4-phenylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline

Formula:C27H25N3O4S Mutagenic:high Tumorigenic:none Reproductive Effective:none 8-(benzenesulfonyl)-9-(4-phenylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline is a drug-like molecule.

MolName	8-(benzenesulfonyl)-9-(4-phenylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
MolecularFormula	C27H25N3O4S
Smiles	O=S(c1ccccc1)(c(cnc(c1c2)cc3c2OCCO3)c1N(CC1)CCN1c1ccccc1)=O
InChI	InChI=1S/C27H25N3O4S/c31-35(32,21-9-5-2-6-10-21)26-19-28-23-18-25-24(33-15-16-34-25)17-22(23)27(26)30-13-11-29(12-14-30)20-7-3-1-4-8-20/h1-10,17-19H,11-16H2
InChIK	ZHTYBVCLKJSILN-UHFFFAOYSA-N
TotalMolweight	487.579
Molweight	487.579
MonoisotopicMass	487.156577
CLogP	3.9332
CLogS	-5.49
H Acceptors	7
TotalSurfaceArea	350.88
Relative PSA	0.18995
PolarSurfaceArea	80.35
Druglikeness	-9.3106
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.42857
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	10
Symmetricatoms	7
Amines	2
Aromatic Amines	2
Aromatic Nitrogens	1
StereoCon

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