Alternatived Products of [ 312693-72-4 ]
Product Details of [ 312693-72-4 ]
CAS No. : | 312693-72-4 |
MDL No. : | MFCD00150760 |
Formula : |
C10H15N5O5
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | LZSCQUCOIRGCEJ-FPKZOZHISA-N |
M.W : |
285.26
|
Pubchem ID : | 135445705 |
Synonyms : |
2'-Deoxyguanosine (hydrate);Guanine deoxyriboside
|
Calculated chemistry of [ 312693-72-4 ]
Physicochemical Properties
Num. heavy atoms : |
20 |
Num. arom. heavy atoms : |
9 |
Fraction Csp3 : |
0.5 |
Num. rotatable bonds : |
2 |
Num. H-bond acceptors : |
7.0 |
Num. H-bond donors : |
5.0 |
Molar Refractivity : |
67.39 |
TPSA : |
148.51 Ų |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-9.18 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.2 |
Log Po/w (XLOGP3) : |
-1.61 |
Log Po/w (WLOGP) : |
-2.04 |
Log Po/w (MLOGP) : |
-2.36 |
Log Po/w (SILICOS-IT) : |
-1.33 |
Consensus Log Po/w : |
-1.43 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.8 |
Solubility : |
45.7 mg/ml ; 0.16 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-1.0 |
Solubility : |
28.6 mg/ml ; 0.1 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-0.3 |
Solubility : |
142.0 mg/ml ; 0.497 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
3.71 |
Safety of [ 312693-72-4 ]
Signal Word: | Warning |
Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 |
UN#: | N/A |
Hazard Statements: | H302 |
Packing Group: | N/A |
GHS Pictogram: |
|