DiFMDA

Izvor: Wikipedia
DiFMDA
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
CAS broj 910393-51-0
ATC kod nije dodeljen
ChemSpider[1] 26495356
Hemijski podaci
Formula C10H11F2NO2 
Mol. masa 215,197
SMILES eMolekuli & PubHem
Farmakoinformacioni podaci
Trudnoća  ?
Pravni status

DiFMDA je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 215,197 Da.

Osobine[uredi - уреди]

Osobina Vrednost
Broj akceptora vodonika 3
Broj donora vodonika 1
Broj rotacionih veza 2
Particioni koeficijent[2] (ALogP) 3,4
Rastvorljivost[3] (logS, log(mol/L)) -2,9
Polarna površina[4] (PSA, Å2) 44,5

Reference[uredi - уреди]

  1. Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). "Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining". J Cheminform 2 (1): 3. doi:10.1186/1758-2946-2-3. PMID 20331846.  edit
  2. Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). "Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods". J. Phys. Chem. A 102: 3762–3772. doi:10.1021/jp980230o. 
  3. Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). "Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices". Chem Inf. Comput. Sci. 41: 1488–1493. doi:10.1021/ci000392t. PMID 11749573. 
  4. Ertl P., Rohde B., Selzer P. (2000). "Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties". J. Med. Chem. 43: 3714–3717. doi:10.1021/jm000942e. PMID 11020286. 

Literatura[uredi - уреди]

Spoljašnje veze[uredi - уреди]