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

Formula:C20H13N2O5Br Mutagenic:high Tumorigenic:high Reproductive Effective:high (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C20H13N2O5Br
Smiles	O=C(/C(/C(N1Cc2ccco2)=O)=C\c2ccc(-c3cccc(Br)c3)o2)NC1=O
InChI	InChI=1S/C20H13BrN2O5/c21-13-4-1-3-12(9-13)17-7-6-14(28-17)10-16-18(24)22-20(26)23(19(16)25)11-15-5-2-8-27-15/h1-10H,11H2,(H,22,24,26)
InChIK	BJCCZSJAAJKKQO-UHFFFAOYSA-N
TotalMolweight	441.236
Molweight	441.236
MonoisotopicMass	440.000784
CLogP	2.9311
CLogS	-5.341
H Acceptors	7
H Donors	1
TotalSurfaceArea	290.77
Relative PSA	0.28321
PolarSurfaceArea	92.76
Druglikeness	4.4678
Mutagenic	high
Tumorigenic	high
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
Amides	2
StereoCon

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