Common name
(2S,6R)-2,4,6-trimethylmorpholine
IUPAC name
(2S,6R)-2,4,6-trimethylmorpholine
SMILES
CN1C[C@H](C)O[C@H](C)C1
Common name
(2S,6R)-2,4,6-trimethylmorpholine
IUPAC name
(2S,6R)-2,4,6-trimethylmorpholine
SMILES
CN1C[C@H](C)O[C@H](C)C1
INCHI
InChI=1S/C7H15NO/c1-6-4-8(3)5-7(2)9-6/h6-7H,4-5H2,1-3H3/t6-,7+
FORMULA
C7H15NO
Common name
(2S,6R)-2,4,6-trimethylmorpholine
IUPAC name
(2S,6R)-2,4,6-trimethylmorpholine
Molecular weight
129.200
clogP
0.864
clogS
-0.728
Frequency
0.0010
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
12.47
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03159 | aldimorph |
|
Fungicide | Fungicide |
| FDBD03163 | fenpropimorph |
|
Fungicide | Fungicide |
| FDBD03165 | tridemorph |
|
Fungicide | Fungicide |
3 ,
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
