LigandBoxID:D00563

NAME:Mirtazapine;Remeron;Reflex
SMILES: CN1CCN3c4ncccc4Cc2ccccc2C3C1

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00563

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H20N3 266.368 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 2 -3.9882 -11.6475
LOGS LOGP    
-2.9862 4.0101    

Links to the same SMILES compounds

LIGANDBOX C07570 D04055 HTS1610-00188782 HTS1610-00188783 HTS1610-00292836
HTS1610-00292837 KSH2016-00014541 KSH2016-00061048
CHEMBL CHEMBL1366933 CHEMBL608847 CHEMBL654
ZINC ZINC00000509 ZINC19702119 ZINC19702119 ZINC21981250 ZINC21981250
PUBCHEM 11494663 11589022 11609903 11618256 11627070
11639107 11695149 11859111 15602719 25195514 3085218
3085219 4205 45039945 45359022 45359023 51600104
51614127 53476253 57515099 6398890 6451144 9818488
9826047 9882242 9884236 9884987 9948309


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