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

Formula:C20H14N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(4-hydroxyphenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(4-hydroxyphenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C20H14N2O5
Smiles	C#CCOc1ccc(/C=C(\C(NC(N2c(cc3)ccc3O)=O)=O)/C2=O)cc1
InChI	InChI=1S/C20H14N2O5/c1-2-11-27-16-9-3-13(4-10-16)12-17-18(24)21-20(26)22(19(17)25)14-5-7-15(23)8-6-14/h1,3-10,12,23H,11H2,(H,21,24,26)
InChIK	JFNGZKAUVNROHO-UHFFFAOYSA-N
TotalMolweight	362.34
Molweight	362.34
MonoisotopicMass	362.090273
CLogP	1.7669
CLogS	-4.233
H Acceptors	7
H Donors	2
TotalSurfaceArea	273.16
Relative PSA	0.28273
PolarSurfaceArea	95.94
Druglikeness	4.589
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	2
StereoCon

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