(5E)-1-cyclohexyl-5-[(5-iodofuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

Formula:C15H15N2O4I Mutagenic:high Tumorigenic:high Reproductive Effective:high (5E)-1-cyclohexyl-5-[(5-iodofuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-cyclohexyl-5-[(5-iodofuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C15H15N2O4I
Smiles	O=C(/C(/C(N1C2CCCCC2)=O)=C\c(o2)ccc2I)NC1=O
InChI	InChI=1S/C15H15IN2O4/c16-12-7-6-10(22-12)8-11-13(19)17-15(21)18(14(11)20)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,17,19,21)
InChIK	UDEPJIDOLZBNTB-UHFFFAOYSA-N
TotalMolweight	414.194
Molweight	414.194
MonoisotopicMass	414.007656
CLogP	1.9391
CLogS	-4.077
H Acceptors	6
H Donors	1
TotalSurfaceArea	243.25
Relative PSA	0.28053
PolarSurfaceArea	79.62
Druglikeness	0.84798
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	6
Symmetricatoms	2
Amides	2
StereoCon

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