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

Formula:C28H27N3O4S Mutagenic:high Tumorigenic:none Reproductive Effective:none 8-(benzenesulfonyl)-9-(4-benzylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline is not a drug-like molecule.

MolName	8-(benzenesulfonyl)-9-(4-benzylpiperazin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
MolecularFormula	C28H27N3O4S
Smiles	O=S(c1ccccc1)(c(cnc(c1c2)cc3c2OCCO3)c1N1CCN(Cc2ccccc2)CC1)=O
InChI	InChI=1S/C28H27N3O4S/c32-36(33,22-9-5-2-6-10-22)27-19-29-24-18-26-25(34-15-16-35-26)17-23(24)28(27)31-13-11-30(12-14-31)20-21-7-3-1-4-8-21/h1-10,17-19H,11-16,20H2
InChIK	NBMHMKSZQZAAEO-UHFFFAOYSA-N
TotalMolweight	501.605
Molweight	501.605
MonoisotopicMass	501.172227
CLogP	3.8561
CLogS	-4.968
H Acceptors	7
TotalSurfaceArea	364.64
Relative PSA	0.18278
PolarSurfaceArea	80.35
Druglikeness	-9.7873
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	12
Symmetricatoms	7
Amines	2
AlkylAmines	1
Aromatic Amines	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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