7-hydroxy-4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one

Formula:C22H19N3O7S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 7-hydroxy-4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one is not a drug-like molecule.

MolName	7-hydroxy-4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one
MolecularFormula	C22H19N3O7S2
Smiles	Oc(cc1)cc(O2)c1C(CSc1nnc(-c3cccc(S(N4CCOCC4)(=O)=O)c3)o1)=CC2=O
InChI	InChI=1S/C22H19N3O7S2/c26-16-4-5-18-15(11-20(27)31-19(18)12-16)13-33-22-24-23-21(32-22)14-2-1-3-17(10-14)34(28,29)25-6-8-30-9-7-25/h1-5,10-12,26H,6-9,13H2
InChIK	OTMUYGLJMHCTHW-UHFFFAOYSA-N
TotalMolweight	501.539
Molweight	501.539
MonoisotopicMass	501.066442
CLogP	1.9965
CLogS	-4.219
H Acceptors	10
H Donors	1
TotalSurfaceArea	346.97
Relative PSA	0.37989
PolarSurfaceArea	165.74
Druglikeness	-6.7396
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	10
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	2
StereoCon

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