N-[5,8-bis[(9,10-dioxoanthracen-1-yl)amino]-9,10-dioxoanthracen-1-yl]benzamide

Formula:C49H27N3O7 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[5,8-bis[(9,10-dioxoanthracen-1-yl)amino]-9,10-dioxoanthracen-1-yl]benzamide is not a drug-like molecule.

MolName	N-[5,8-bis[(9,10-dioxoanthracen-1-yl)amino]-9,10-dioxoanthracen-1-yl]benzamide
MolecularFormula	C49H27N3O7
Smiles	O=C(c1ccccc1)Nc(cccc1C(c2c3c(Nc(cccc4C(c5c6cccc5)=O)c4C6=O)ccc2Nc(cccc2C(c4c5cccc4)=O)c2C5=O)=O)c1C3=O
InChI	InChI=1S/C49H27N3O7/c53-43-26-13-4-6-15-28(26)45(55)38-30(43)17-8-20-33(38)50-36-23-24-37(51-34-21-9-18-31-39(34)46(56)29-16-7-5-14-27(29)44(31)54)42-41(36)47(57)32-19-10-22-35(40(32)48(42)58)52-49(59)25-11-2-1-3-12-25/h1-24,50-51H,(H,52,59)
InChIK	GMLICCAWSVNEBJ-UHFFFAOYSA-N
TotalMolweight	769.767
Molweight	769.767
MonoisotopicMass	769.184902
CLogP	9.9893
CLogS	-15.626
H Acceptors	10
H Donors	3
TotalSurfaceArea	549.95
Relative PSA	0.22849
PolarSurfaceArea	155.58
Druglikeness	1.1796
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.33898
Fragments	1
Non HAtoms	59
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	10
Small Rings	10
Aromatic Rings	7
Aromatic Atoms	42
Symmetricatoms	2
Amides	1
Amines	2
Aromatic Amines	2
StereoCon

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