3,5-diamino-2-[[4-[(E)-2-[4-[(2,4-diamino-6-carboxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]benzoic acid

Formula:C28H24N8O10S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 3,5-diamino-2-[[4-[(E)-2-[4-[(2,4-diamino-6-carboxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]benzoic acid is not a drug-like molecule.

MolName	3,5-diamino-2-[[4-[(E)-2-[4-[(2,4-diamino-6-carboxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]benzoic acid
MolecularFormula	C28H24N8O10S2
Smiles	Nc(cc1C(O)=O)cc(N)c1/N=N/c1cc(S(O)(=O)=O)c(/C=C/c(ccc(/N=N/c(c(C(O)=O)cc(N)c2)c2N)c2)c2S(O)(=O)=O)cc1
InChI	InChI=1S/C28H24N8O10S2/c29-15-7-19(27(37)38)25(21(31)9-15)35-33-17-5-3-13(23(11-17)47(41,42)43)1-2-14-4-6-18(12-24(14)48(44,45)46)34-36-26-20(28(39)40)8-16(30)10-22(26)32/h1-12H,29-32H2,(H,37,38)(H,39,40)(H,41,42,43)(H,44,45,46)
InChIK	DPNJLXWLUJLBKO-UHFFFAOYSA-N
TotalMolweight	696.677
Molweight	696.677
MonoisotopicMass	696.105682
CLogP	0.0734
CLogS	-6.278
H Acceptors	18
H Donors	8
TotalSurfaceArea	477.22
Relative PSA	0.5087
PolarSurfaceArea	353.62
Druglikeness	-6.7572
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	1,3-diamino-aryl; azo
Shape Index	0.5
Fragments	1
Non HAtoms	48
NonCHAtoms	20
Electronegative Atoms	20
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	6
Symmetricatoms	25
Amines	4
Aromatic Amines	4
AcidicOxygens	4
StereoCon

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1 - 3,5-diamino-2-[[4-[(E)-2-[4-[(2,4-diamino-6-carboxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]benzoic acid | 2 - 3,5-diamino-2-[[4-[(E)-2-[4-[(2,4-diamino-6-carboxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]benzoic acid

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