Common name
(2R,6S)-2,6-dimethylmorpholine
IUPAC name
(2R,6S)-2,6-dimethylmorpholine
SMILES
CC1CNCC(O1)C
Common name
(2R,6S)-2,6-dimethylmorpholine
IUPAC name
(2R,6S)-2,6-dimethylmorpholine
SMILES
CC1CNCC(O1)C
INCHI
InChI=1S/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3/t5-,6+
FORMULA
C6H13NO
Common name
(2R,6S)-2,6-dimethylmorpholine
IUPAC name
(2R,6S)-2,6-dimethylmorpholine
Molecular weight
115.174
clogP
1.036
clogS
-1.039
Frequency
0.0017
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
21.26
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01710 | Sonidegib |
|
Antineoplastic Agents; Antineoplastic and Immunomodulating Agents; CYP3A4 Inhibitors; | Sonidegib is approved for use in the US and EU for treatment of adults with locally advanced basal cell carcinoma (BCC) that has recurred post surgery or radiation therapy. It is also approved for adult patients with BCC who are not eligible for surgery or radiation therapy. (2). |
| FDBD03159 | aldimorph |
|
Fungicide | Fungicide |
| FDBD03162 | dodemorph |
|
Fungicide | Fungicide |
| FDBD03163 | fenpropimorph |
|
Fungicide | Fungicide |
| FDBD03165 | tridemorph |
|
Fungicide | Fungicide |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4xu1_ligand_1_7.mol2 | 4xu1 | 0.96 | -5.62 | C[C@H]1OCC[NH2+]C1 | 7 |
| 4f6u_ligand_3_19.mol2 | 4f6u | 0.923077 | -6.51 | C(CC)[NH+]1CCOCC1 | 9 |
| 4o44_ligand_3_0.mol2 | 4o44 | 0.923077 | -5.65 | CCC[NH+]1CCOCC1 | 9 |
| 2rfn_ligand_3_30.mol2 | 2rfn | 0.923077 | -5.37 | [NH+]1(CCOCC1)CCC | 9 |
| 2vrx_ligand_3_0.mol2 | 2vrx | 0.923077 | -5.31 | C(C)C[NH+]1CCOCC1 | 9 |
| 2itz_ligand_3_0.mol2 | 2itz | 0.923077 | -5.30 | C([NH+]1CCOCC1)CC | 9 |
| 3iej_ligand_3_0.mol2 | 3iej | 0.923077 | -5.28 | C([NH+]1CCOCC1)CC | 9 |
| 4lvt_ligand_3_525.mol2 | 4lvt | 0.923077 | -5.26 | C(CC)[NH+]1CCOCC1 | 9 |
129 ,
13
