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CAS No. : | 900169-53-1 | MDL No. : | MFCD09265164 |
Formula : | C38H41Br2Cl2N4Ru | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 885.54 | Pubchem ID : | - |
Synonyms : |
|
Num. heavy atoms : | 47 |
Num. arom. heavy atoms : | 30 |
Fraction Csp3 : | 0.24 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 214.06 |
TPSA : | 32.26 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) : | -3.53 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 11.51 |
Log Po/w (WLOGP) : | 10.39 |
Log Po/w (MLOGP) : | 6.87 |
Log Po/w (SILICOS-IT) : | 6.85 |
Consensus Log Po/w : | 7.12 |
Lipinski : | 2.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 1.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.17 |
Log S (ESOL) : | -12.79 |
Solubility : | 0.0000000001 mg/ml ; 0.0 mol/l |
Class : | Insoluble |
Log S (Ali) : | -12.17 |
Solubility : | 0.0000000006 mg/ml ; 0.0 mol/l |
Class : | Insoluble |
Log S (SILICOS-IT) : | -10.4 |
Solubility : | 0.0000000355 mg/ml ; 0.0 mol/l |
Class : | Insoluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 5.63 |
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: |