(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione

Formula:C19H15N2O5F Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[(3,4-dihydroxyphenyl)methylidene]-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
MolecularFormula	C19H15N2O5F
Smiles	Oc(ccc(/C=C(\C(NC(N1CCc(cc2)ccc2F)=O)=O)/C1=O)c1)c1O
InChI	InChI=1S/C19H15FN2O5/c20-13-4-1-11(2-5-13)7-8-22-18(26)14(17(25)21-19(22)27)9-12-3-6-15(23)16(24)10-12/h1-6,9-10,23-24H,7-8H2,(H,21,25,27)
InChIK	ZAHGQXYTIOCLBK-UHFFFAOYSA-N
TotalMolweight	370.335
Molweight	370.335
MonoisotopicMass	370.096501
CLogP	1.9178
CLogS	-3.199
H Acceptors	7
H Donors	3
TotalSurfaceArea	265.81
Relative PSA	0.30221
PolarSurfaceArea	106.94
Druglikeness	4.5769
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
StereoCon

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1 - (5E)-5-[(3,4-dihydroxyphenyl)methylidene]-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione | 2 - (5E)-5-[(3,4-dihydroxyphenyl)methylidene]-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione

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