LigandBoxID:D08224

NAME:Mitoxantrone;Misostol
SMILES: OCCNCCNc1ccc(c3c(c2c(ccc(c2c(c31)=O)O)O)=O)NCCNCCO

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08224

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H30N4O6 446.504 2 10
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 0 -6.1107 -12.9093
LOGS LOGP    
-3.4221 -0.8303    

Links to the same SMILES compounds

LIGANDBOX C11195 D02166 HTS1610-00141924 HTS1610-00141925 HTS1610-00141926
KSH2016-01632921 KSH2016-01934265 PDB_MIX
CHEMBL CHEMBL1200827 CHEMBL1417019 CHEMBL58
ZINC ZINC03794794
PUBCHEM 23622554 24744037 24848320 4212 44138135
45039947 45108240 45114134 46853725 51082 51151
51371346 5458171 54607525 56842120 60145448 60145449
60145593 60145594 9933082 9961950


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