(5E)-1-(furan-2-ylmethyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Formula:C19H14N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(furan-2-ylmethyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(furan-2-ylmethyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C19H14N2O5
Smiles	C#CCOc1ccc(/C=C(\C(NC(N2Cc3ccco3)=O)=O)/C2=O)cc1
InChI	InChI=1S/C19H14N2O5/c1-2-9-25-14-7-5-13(6-8-14)11-16-17(22)20-19(24)21(18(16)23)12-15-4-3-10-26-15/h1,3-8,10-11H,9,12H2,(H,20,22,24)
InChIK	JEQVPLRARQDKGG-UHFFFAOYSA-N
TotalMolweight	350.329
Molweight	350.329
MonoisotopicMass	350.090273
CLogP	1.2242
CLogS	-3.689
H Acceptors	7
H Donors	1
TotalSurfaceArea	270.26
Relative PSA	0.2895
PolarSurfaceArea	88.85
Druglikeness	5.4358
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Amides	2
StereoCon

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