N-[4-amino-3-[[(1-amino-9,10-dioxoanthracen-2-yl)methylidenehydrazinylidene]methyl]-9,10-dioxoanthracen-1-yl]benzamide

Formula:C37H23N5O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[4-amino-3-[[(1-amino-9,10-dioxoanthracen-2-yl)methylidenehydrazinylidene]methyl]-9,10-dioxoanthracen-1-yl]benzamide is not a drug-like molecule.

MolName	N-[4-amino-3-[[(1-amino-9,10-dioxoanthracen-2-yl)methylidenehydrazinylidene]methyl]-9,10-dioxoanthracen-1-yl]benzamide
MolecularFormula	C37H23N5O5
Smiles	Nc1c(C=NN=Cc(c(N)c2C(c3c4cccc3)=O)cc(NC(c3ccccc3)=O)c2C4=O)ccc(C(c2c3cccc2)=O)c1C3=O
InChI	InChI=1S/C37H23N5O5/c38-31-20(14-15-26-28(31)34(44)23-11-5-4-10-22(23)33(26)43)17-40-41-18-21-16-27(42-37(47)19-8-2-1-3-9-19)29-30(32(21)39)36(46)25-13-7-6-12-24(25)35(29)45/h1-18H,38-39H2,(H,42,47)
InChIK	MPCJTVKCXGFKRM-UHFFFAOYSA-N
TotalMolweight	617.62
Molweight	617.62
MonoisotopicMass	617.16992
CLogP	7.3261
CLogS	-12.024
H Acceptors	10
H Donors	3
TotalSurfaceArea	452.07
Relative PSA	0.28805
PolarSurfaceArea	174.14
Druglikeness	3.2576
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	dimethylene-hydrazine; imine/hydrazone of aldehyde
Shape Index	0.44681
Fragments	1
Non HAtoms	47
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	7
Small Rings	7
Aromatic Rings	5
Aromatic Atoms	30
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Amines	2
Aromatic Amines	2
StereoCon

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1 - N-[4-amino-3-[[(1-amino-9,10-dioxoanthracen-2-yl)methylidenehydrazinylidene]methyl]-9,10-dioxoanthracen-1-yl]benzamide | 2 - N-[4-amino-3-[[(1-amino-9,10-dioxoanthracen-2-yl)methylidenehydrazinylidene]methyl]-9,10-dioxoanthracen-1-yl]benzamide

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