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

Formula:C18H10N2O4BrFS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C18H10N2O4BrFS
Smiles	O=C(/C(/C(N1c(cc2)ccc2F)=O)=C\c(cc2OCOc2c2)c2Br)NC1=S
InChI	InChI=1S/C18H10BrFN2O4S/c19-13-7-15-14(25-8-26-15)6-9(13)5-12-16(23)21-18(27)22(17(12)24)11-3-1-10(20)2-4-11/h1-7H,8H2,(H,21,23,27)
InChIK	BBLSKVRPWXDVSO-UHFFFAOYSA-N
TotalMolweight	449.255
Molweight	449.255
MonoisotopicMass	447.952867
CLogP	3.4533
CLogS	-5.83
H Acceptors	6
H Donors	1
TotalSurfaceArea	279.44
Relative PSA	0.31882
PolarSurfaceArea	99.96
Druglikeness	0.43169
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
StereoCon

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1 - (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

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