(5E)-5-[(5-bromo-2,4-dihydroxyphenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C17H10N2O4Br2S Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-5-[(5-bromo-2,4-dihydroxyphenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5E)-5-[(5-bromo-2,4-dihydroxyphenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H10N2O4Br2S
Smiles	Oc(c(/C=C(\C(NC(N1c2cc(Br)ccc2)=S)=O)/C1=O)c1)cc(O)c1Br
InChI	InChI=1S/C17H10Br2N2O4S/c18-9-2-1-3-10(6-9)21-16(25)11(15(24)20-17(21)26)4-8-5-12(19)14(23)7-13(8)22/h1-7,22-23H,(H,20,24,26)
InChIK	DENCRQBRQNSFLE-UHFFFAOYSA-N
TotalMolweight	498.15
Molweight	498.15
MonoisotopicMass	495.8728
CLogP	3.2749
CLogS	-5.047
H Acceptors	6
H Donors	3
TotalSurfaceArea	284.16
Relative PSA	0.33534
PolarSurfaceArea	121.96
Druglikeness	1.8233
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Amides	2
StereoCon

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1 - (5E)-5-[(5-bromo-2,4-dihydroxyphenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5E)-5-[(5-bromo-2,4-dihydroxyphenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

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