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

Formula:C21H13N2O5F3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (5E)-1-(furan-2-ylmethyl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(furan-2-ylmethyl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C21H13N2O5F3
Smiles	O=C(/C(/C(N1Cc2ccco2)=O)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC1=O
InChI	InChI=1S/C21H13F3N2O5/c22-21(23,24)13-4-1-3-12(9-13)17-7-6-14(31-17)10-16-18(27)25-20(29)26(19(16)28)11-15-5-2-8-30-15/h1-10H,11H2,(H,25,27,29)
InChIK	SGGMDRUGMFHJTB-UHFFFAOYSA-N
TotalMolweight	430.337
Molweight	430.337
MonoisotopicMass	430.077657
CLogP	3.0542
CLogS	-5.285
H Acceptors	7
H Donors	1
TotalSurfaceArea	301.6
Relative PSA	0.27304
PolarSurfaceArea	92.76
Druglikeness	-0.93219
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Amides	2
StereoCon

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