LigandBoxID:D08768

NAME:Promethazine hibenzate;Hiberna
SMILES: CN(C(CN3c1ccccc1Sc2ccccc32)C)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08768

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H21N2S 285.434 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 1 -4.1392 -10.1976
LOGS LOGP    
-7.2393 4.7975    

Links to the same SMILES compounds

LIGANDBOX C07404 D00480 D00494 D01242 D08432
HTS1610-00136437 HTS1610-00136438 HTS1610-00136439 HTS1610-00136440
CHEMBL CHEMBL1200750 CHEMBL1788267 CHEMBL251904 CHEMBL643
ZINC ZINC00020250 ZINC00056647
PUBCHEM 133162 168652 192201 19824879 20322666
20322672 21115227 21889611 22630379 24847818 24848116
24848341 3545377 44151245 45040273 46174121 46219298
46219299 46219425 46219426 46219427 46219428 46219429
46219430 46219431 46219550 46219551 46219552 46219553
46219554 46219555 46219671 46219672 46219673 46219674
46219675 46219676 46219792 46219793 46219794 46219795
46219796 46219797 46219909 46219910 46219911 46219912
46219913 46220021 46220022 46782787 46851573 4927
50910002 50986636 517306 53422624 56841551 56841706
56841707 57504097 6014 63030 6441486 6451561
657263 667687 688096 6919171 6921597 73331


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