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

Formula:C26H19N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzoic acid is a drug-like molecule.

MolName	3-[[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzoic acid
MolecularFormula	C26H19N3O6
Smiles	OC(c1cccc(Cn2c(cccc3)c3c(/C=C(\C(NC(N3Cc4ccco4)=O)=O)/C3=O)c2)c1)=O
InChI	InChI=1S/C26H19N3O6/c30-23-21(24(31)29(26(34)27-23)15-19-7-4-10-35-19)12-18-14-28(22-9-2-1-8-20(18)22)13-16-5-3-6-17(11-16)25(32)33/h1-12,14H,13,15H2,(H,32,33)(H,27,30,34)
InChIK	GLULYHCHJCYREK-UHFFFAOYSA-N
TotalMolweight	469.452
Molweight	469.452
MonoisotopicMass	469.127387
CLogP	2.2818
CLogS	-4.038
H Acceptors	9
H Donors	2
TotalSurfaceArea	344.11
Relative PSA	0.29424
PolarSurfaceArea	121.85
Druglikeness	5.4992
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	3
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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

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