4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-6,7-dihydroxychromen-2-one

Formula:C22H22N2O8S Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-6,7-dihydroxychromen-2-one is a drug-like molecule.

MolName	4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-6,7-dihydroxychromen-2-one
MolecularFormula	C22H22N2O8S
Smiles	Oc(c(O)c1)cc(C(CN(CC2)CCN2S(c(cc2)cc3c2OCCO3)(=O)=O)=C2)c1OC2=O
InChI	InChI=1S/C22H22N2O8S/c25-17-11-16-14(9-22(27)32-20(16)12-18(17)26)13-23-3-5-24(6-4-23)33(28,29)15-1-2-19-21(10-15)31-8-7-30-19/h1-2,9-12,25-26H,3-8,13H2
InChIK	LJGVEBDYZYEXQX-UHFFFAOYSA-N
TotalMolweight	474.489
Molweight	474.489
MonoisotopicMass	474.109688
CLogP	1.1039
CLogS	-1.329
H Acceptors	10
H Donors	2
TotalSurfaceArea	323.18
Relative PSA	0.32465
PolarSurfaceArea	134.22
Druglikeness	-5.6676
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	3
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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1 - 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-6,7-dihydroxychromen-2-one | 2 - 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-6,7-dihydroxychromen-2-one

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