5-[5-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid

Formula:C23H14N2O8 Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-[5-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid is a drug-like molecule.

MolName	5-[5-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid
MolecularFormula	C23H14N2O8
Smiles	OC(c1cc(-c2ccc(/C=C(/C(NC(N3c4ccccc4)=O)=O)\C3=O)o2)cc(C(O)=O)c1)=O
InChI	InChI=1S/C23H14N2O8/c26-19-17(20(27)25(23(32)24-19)15-4-2-1-3-5-15)11-16-6-7-18(33-16)12-8-13(21(28)29)10-14(9-12)22(30)31/h1-11H,(H,28,29)(H,30,31)(H,24,26,32)
InChIK	XSCGNRRJLSGRTN-UHFFFAOYSA-N
TotalMolweight	446.37
Molweight	446.37
MonoisotopicMass	446.075018
CLogP	2.0645
CLogS	-5.373
H Acceptors	10
H Donors	3
TotalSurfaceArea	316.89
Relative PSA	0.38032
PolarSurfaceArea	154.22
Druglikeness	5.5172
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	7
Amides	2
AcidicOxygens	2
StereoCon

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1 - 5-[5-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid | 2 - 5-[5-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid

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