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

Formula:C17H10N2O3Br2S Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(3-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H10N2O3Br2S
Smiles	Oc(ccc(/C=C(\C(NC(N1c2cc(Br)ccc2)=S)=O)/C1=O)c1)c1Br
InChI	InChI=1S/C17H10Br2N2O3S/c18-10-2-1-3-11(8-10)21-16(24)12(15(23)20-17(21)25)6-9-4-5-14(22)13(19)7-9/h1-8,22H,(H,20,23,25)
InChIK	AELDCQLGZHEKEM-UHFFFAOYSA-N
TotalMolweight	482.151
Molweight	482.151
MonoisotopicMass	479.877885
CLogP	3.6206
CLogS	-5.343
H Acceptors	5
H Donors	2
TotalSurfaceArea	277.81
Relative PSA	0.29585
PolarSurfaceArea	101.73
Druglikeness	1.8233
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	2
StereoCon

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