LigandBoxID:D07832

NAME:Dihydrocodeine thiocyanate;Paracodin
SMILES: COc1ccc2CC3N(CCC54C3CCC(C4Oc1c52)O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07832

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H24NO3 302.394 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 6 -3.8031 -11.7431
LOGS LOGP    
-3.0813 2.2591    

Links to the same SMILES compounds

LIGANDBOX D01481 D03825 D07831
CHEMBL CHEMBL1200520 CHEMBL1595 CHEMBL1876862
ZINC ZINC04215736
PUBCHEM 10335028 11556160 11591853 11592022 11664043
11764399 15558924 18601660 197062 20056764 20078765
20831809 20833254 20833261 20833307 23653632 24847934
24847963 25234504 273030 3063 31317 40479707
44246525 46174078 50938745 5284543 5359495 5492624
5492723 5492897 5492898 5492984 5492985 5493066
5493067 5493302 56841818 57182609 57455278 5746684
58840863 59193703 59193704 59253437 59270400 59666707
59666919 59667155 59667258 6426647 9887154


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