5-[[3-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid

Formula:C25H16N3O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 5-[[3-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid is a drug-like molecule.

MolName	5-[[3-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid
MolecularFormula	C25H16N3O6Cl
Smiles	OC(c1ccc(Cn2c(cccc3)c3c(/C=C(\C(NC(N3c(cc4)ccc4Cl)=O)=O)/C3=O)c2)o1)=O
InChI	InChI=1S/C25H16ClN3O6/c26-15-5-7-16(8-6-15)29-23(31)19(22(30)27-25(29)34)11-14-12-28(20-4-2-1-3-18(14)20)13-17-9-10-21(35-17)24(32)33/h1-12H,13H2,(H,32,33)(H,27,30,34)
InChIK	FWVHFBUGASWNGG-UHFFFAOYSA-N
TotalMolweight	489.87
Molweight	489.87
MonoisotopicMass	489.072764
CLogP	3.0189
CLogS	-5.32
H Acceptors	9
H Donors	2
TotalSurfaceArea	345.77
Relative PSA	0.29282
PolarSurfaceArea	121.85
Druglikeness	5.6628
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - 5-[[3-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid | 2 - 5-[[3-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid

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