(5Z)-1-(3-bromophenyl)-5-[(4-hydroxy-3,5-diiodophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C17H9N2O3BrI2S Mutagenic:high Tumorigenic:none Reproductive Effective:high (5Z)-1-(3-bromophenyl)-5-[(4-hydroxy-3,5-diiodophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	(5Z)-1-(3-bromophenyl)-5-[(4-hydroxy-3,5-diiodophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H9N2O3BrI2S
Smiles	Oc(c(I)cc(/C=C(/C(NC(N1c2cc(Br)ccc2)=S)=O)\C1=O)c1)c1I
InChI	InChI=1S/C17H9BrI2N2O3S/c18-9-2-1-3-10(7-9)22-16(25)11(15(24)21-17(22)26)4-8-5-12(19)14(23)13(20)6-8/h1-7,23H,(H,21,24,26)
InChIK	CCQAHFPZPIUJAL-UHFFFAOYSA-N
TotalMolweight	655.039
Molweight	655.039
MonoisotopicMass	653.76067
CLogP	3.7696
CLogS	-6.541
H Acceptors	5
H Donors	2
TotalSurfaceArea	311.74
Relative PSA	0.26365
PolarSurfaceArea	101.73
Druglikeness	2.2855
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	2
Symmetricatoms	3
Amides	2
StereoCon

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1 - (5Z)-1-(3-bromophenyl)-5-[(4-hydroxy-3,5-diiodophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5Z)-1-(3-bromophenyl)-5-[(4-hydroxy-3,5-diiodophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

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