LigandBoxID:D03837

NAME:Fosamprenavir sodium
SMILES: CC(CN(S(c3ccc(cc3)N)(=O)=O)CC(C(Cc1ccccc1)NC(OC2CCOC2)=O)OP(=O)(O)O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D03837

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C25H34N3O9PS 583.598 -2 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
9 3 3.4009 0.1870
LOGS LOGP    
$$$$ 1.2030    

Links to the same SMILES compounds

LIGANDBOX D02497 D02867 D03835
CHEMBL CHEMBL1200734 CHEMBL1664
ZINC ZINC03941829 ZINC38143537 ZINC38143537
PUBCHEM 11284707 11954282 131535 131536 131537
16052024 20846146 21121448 22961369 24868351 24868352
25207676 25269743 25269744 25269745 25270414 25270415
25271094 45039300 45039301 45039302 45039303 46703666
46703667 53386025 53386305 53447386 59131927 59131928
59132282 59898529 59898530 59904988 59978689 60096525
9809333 9895497


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