(5E)-1-(furan-2-ylmethyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C20H14N3O4I Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(furan-2-ylmethyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(furan-2-ylmethyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C20H14N3O4I
Smiles	O=C(/C(/C(N1Cc2ccco2)=O)=C\c2cccn2-c(cc2)ccc2I)NC1=O
InChI	InChI=1S/C20H14IN3O4/c21-13-5-7-14(8-6-13)23-9-1-3-15(23)11-17-18(25)22-20(27)24(19(17)26)12-16-4-2-10-28-16/h1-11H,12H2,(H,22,25,27)
InChIK	MVARHVXGGWUDIU-UHFFFAOYSA-N
TotalMolweight	487.248
Molweight	487.248
MonoisotopicMass	487.002905
CLogP	1.943
CLogS	-6.4
H Acceptors	7
H Donors	1
TotalSurfaceArea	297.93
Relative PSA	0.25211
PolarSurfaceArea	84.55
Druglikeness	6.0751
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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