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CAS No. : | 24292-60-2 | MDL No. : | MFCD00065390 |
Formula : | C21H26N7Na2O17P3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 787.37 | Pubchem ID : | - |
Synonyms : |
Disodium NADP
|
Num. heavy atoms : | 50 |
Num. arom. heavy atoms : | 15 |
Fraction Csp3 : | 0.48 |
Num. rotatable bonds : | 13 |
Num. H-bond acceptors : | 20.0 |
Num. H-bond donors : | 6.0 |
Molar Refractivity : | 147.27 |
TPSA : | 402.71 Ų |
GI absorption : | Low |
BBB permeant : | No |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -16.09 cm/s |
Log Po/w (iLOGP) : | -38.85 |
Log Po/w (XLOGP3) : | -7.02 |
Log Po/w (WLOGP) : | -2.23 |
Log Po/w (MLOGP) : | -5.9 |
Log Po/w (SILICOS-IT) : | -7.57 |
Consensus Log Po/w : | -12.31 |
Lipinski : | 3.0 |
Ghose : | None |
Veber : | 2.0 |
Egan : | 1.0 |
Muegge : | 5.0 |
Bioavailability Score : | 0.11 |
Log S (ESOL) : | 0.34 |
Solubility : | 1710.0 mg/ml ; 2.17 mol/l |
Class : | Highly soluble |
Log S (Ali) : | -0.72 |
Solubility : | 149.0 mg/ml ; 0.189 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | 2.96 |
Solubility : | 718000.0 mg/ml ; 912.0 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 6.31 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |