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

Formula:C17H11N2O3BrS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-1-(3-bromophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5E)-1-(3-bromophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H11N2O3BrS
Smiles	Oc1ccc(/C=C(\C(NC(N2c3cccc(Br)c3)=S)=O)/C2=O)cc1
InChI	InChI=1S/C17H11BrN2O3S/c18-11-2-1-3-12(9-11)20-16(23)14(15(22)19-17(20)24)8-10-4-6-13(21)7-5-10/h1-9,21H,(H,19,22,24)
InChIK	PQBBXXONIWEJMM-UHFFFAOYSA-N
TotalMolweight	403.255
Molweight	403.255
MonoisotopicMass	401.967374
CLogP	2.8954
CLogS	-4.509
H Acceptors	5
H Donors	2
TotalSurfaceArea	259.18
Relative PSA	0.31712
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	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	2
StereoCon

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