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

Formula:C17H10N2O2BrFS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-1-(3-bromophenyl)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5E)-1-(3-bromophenyl)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H10N2O2BrFS
Smiles	O=C(/C(/C(N1c2cccc(Br)c2)=O)=C\c(cc2)ccc2F)NC1=S
InChI	InChI=1S/C17H10BrFN2O2S/c18-11-2-1-3-13(9-11)21-16(23)14(15(22)20-17(21)24)8-10-4-6-12(19)7-5-10/h1-9H,(H,20,22,24)
InChIK	JIJUXJMTEZVDEU-UHFFFAOYSA-N
TotalMolweight	405.246
Molweight	405.246
MonoisotopicMass	403.963037
CLogP	3.3419
CLogS	-5.119
H Acceptors	4
H Donors	1
TotalSurfaceArea	259.18
Relative PSA	0.26657
PolarSurfaceArea	81.5
Druglikeness	0.46768
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	1
Symmetricatoms	2
Amides	2
StereoCon

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