5-[(E)-3-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C11H8N4O4S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 5-[(E)-3-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	5-[(E)-3-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C11H8N4O4S2
Smiles	OC(NC(N1)=S)=C(/C=C/C=C(C(NC(N2)=S)=O)C2=O)C1=O
InChI	InChI=1S/C11H8N4O4S2/c16-6-4(7(17)13-10(20)12-6)2-1-3-5-8(18)14-11(21)15-9(5)19/h1-3H,(H2,12,13,16,17,20)(H3,14,15,18,19,21)
InChIK	HRWTWBCVBXYDIL-UHFFFAOYSA-N
TotalMolweight	324.341
Molweight	324.341
MonoisotopicMass	323.998696
CLogP	-0.7196
CLogS	-3.039
H Acceptors	8
H Donors	5
TotalSurfaceArea	231.49
Relative PSA	0.66551
PolarSurfaceArea	183.74
Druglikeness	3.3678
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	polar activated DB; twice activated DB; thio-amide/urea
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Sp3Atoms	3
Symmetricatoms	3
Amides	3
StereoCon

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1 - 5-[(E)-3-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - 5-[(E)-3-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

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