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

Formula:C17H10N2O3BrFS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H10N2O3BrFS
Smiles	Oc(cc1)c(/C=C(/C(NC(N2c(cccc3)c3F)=S)=O)\C2=O)cc1Br
InChI	InChI=1S/C17H10BrFN2O3S/c18-10-5-6-14(22)9(7-10)8-11-15(23)20-17(25)21(16(11)24)13-4-2-1-3-12(13)19/h1-8,22H,(H,20,23,25)
InChIK	IPXSHLQHRWQXMK-UHFFFAOYSA-N
TotalMolweight	421.245
Molweight	421.245
MonoisotopicMass	419.957952
CLogP	2.9962
CLogS	-4.823
H Acceptors	5
H Donors	2
TotalSurfaceArea	265.53
Relative PSA	0.30953
PolarSurfaceArea	101.73
Druglikeness	0.48329
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.48
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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