1-amino-2-[(E)-2-(1-amino-9,10-dioxoanthracen-2-yl)sulfanylethenyl]sulfanylanthracene-9,10-dione

Formula:C30H18N2O4S2 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-amino-2-[(E)-2-(1-amino-9,10-dioxoanthracen-2-yl)sulfanylethenyl]sulfanylanthracene-9,10-dione is not a drug-like molecule.

MolName	1-amino-2-[(E)-2-(1-amino-9,10-dioxoanthracen-2-yl)sulfanylethenyl]sulfanylanthracene-9,10-dione
MolecularFormula	C30H18N2O4S2
Smiles	Nc(c(C(c1c2cccc1)=O)c(cc1)C2=O)c1S/C=C/Sc(ccc(C(c1c2cccc1)=O)c1C2=O)c1N
InChI	InChI=1S/C30H18N2O4S2/c31-25-21(11-9-19-23(25)29(35)17-7-3-1-5-15(17)27(19)33)37-13-14-38-22-12-10-20-24(26(22)32)30(36)18-8-4-2-6-16(18)28(20)34/h1-14H,31-32H2
InChIK	KXJOFXMEAGZUTD-UHFFFAOYSA-N
TotalMolweight	534.615
Molweight	534.615
MonoisotopicMass	534.070798
CLogP	5.3526
CLogS	-10.908
H Acceptors	6
H Donors	2
TotalSurfaceArea	375.06
Relative PSA	0.31376
PolarSurfaceArea	170.92
Druglikeness	-0.2009
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.52632
Fragments	1
Non HAtoms	38
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	19
Amines	2
Aromatic Amines	2
StereoCon

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1 - 1-amino-2-[(E)-2-(1-amino-9,10-dioxoanthracen-2-yl)sulfanylethenyl]sulfanylanthracene-9,10-dione | 2 - 1-amino-2-[(E)-2-(1-amino-9,10-dioxoanthracen-2-yl)sulfanylethenyl]sulfanylanthracene-9,10-dione

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