Alternatived Products of [ 155975-19-2 ] Product Details of [ 155975-19-2 ]
CAS No. : | 155975-19-2 | MDL No. : | MFCD11656036 |
Formula : |
C11H21NO3 | Boiling Point : | No data available |
Linear Structure Formula : | - | InChI Key : | XVROWZPERFUOCE-RKDXNWHRSA-N |
M.W : |
215.29
| Pubchem ID : | 10921888 |
Synonyms : | |
Calculated chemistry of [ 155975-19-2 ] Expand+
Physicochemical Properties
Num. heavy atoms : | 15 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.91 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 58.55 |
TPSA : | 58.56 Ų |
Pharmacokinetics
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.49 cm/s |
Lipophilicity
Log Po/w (iLOGP) : | 2.43 |
Log Po/w (XLOGP3) : | 1.58 |
Log Po/w (WLOGP) : | 1.81 |
Log Po/w (MLOGP) : | 1.15 |
Log Po/w (SILICOS-IT) : | 0.88 |
Consensus Log Po/w : | 1.57 |
Druglikeness
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Water Solubility
Log S (ESOL) : | -1.91 |
Solubility : | 2.67 mg/ml ; 0.0124 mol/l |
Class : | Very soluble |
Log S (Ali) : | -2.42 |
Solubility : | 0.818 mg/ml ; 0.0038 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -1.47 |
Solubility : | 7.29 mg/ml ; 0.0339 mol/l |
Class : | Soluble |
Medicinal Chemistry
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 3.05 |
Safety of [ 155975-19-2 ]