TDIQ
Izgled
Klinički podaci | |
---|---|
AHFS/Drugs.com | Monografija |
Identifikatori | |
CAS broj | 15052-05-8 |
ATC kod | nije dodeljen |
PubChem[1][2] | 2752332 |
Hemijski podaci | |
Formula | C10H11NO2 |
Mol. masa | 177,200 |
SMILES | eMolekuli & PubHem |
Farmakoinformacioni podaci | |
Trudnoća | ? |
Pravni status |
TDIQ je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 177,200 Da.
Osobina | Vrednost |
---|---|
Broj akceptora vodonika | 3 |
Broj donora vodonika | 1 |
Broj rotacionih veza | 0 |
Particioni koeficijent[3] (ALogP) | 1,2 |
Rastvorljivost[4] (logS, log(mol/L)) | -1,7 |
Polarna površina[5] (PSA, Å2) | 30,5 |
- ↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519.
- ↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1.
- ↑ 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.
- ↑ 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.
- ↑ 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.
- Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7.
- Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9.