(5E)-1-(4-fluorophenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C21H14N3O4F Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(4-fluorophenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(4-fluorophenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C21H14N3O4F
Smiles	Oc(cc1)ccc1-n1c(/C=C(\C(NC(N2c(cc3)ccc3F)=O)=O)/C2=O)ccc1
InChI	InChI=1S/C21H14FN3O4/c22-13-3-5-15(6-4-13)25-20(28)18(19(27)23-21(25)29)12-16-2-1-11-24(16)14-7-9-17(26)10-8-14/h1-12,26H,(H,23,27,29)
InChIK	ZKIVMTMFDDZJNS-UHFFFAOYSA-N
TotalMolweight	391.357
Molweight	391.357
MonoisotopicMass	391.096835
CLogP	2.1494
CLogS	-6.242
H Acceptors	7
H Donors	2
TotalSurfaceArea	280.9
Relative PSA	0.26379
PolarSurfaceArea	91.64
Druglikeness	3.6207
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

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