Common name
(2S,6R)-2,6-dimethyl-4-propylmorpholine
IUPAC name
(2S,6R)-2,6-dimethyl-4-propylmorpholine
SMILES
C[C@H](C1)O[C@@H](C)CN1CCC
Common name
(2S,6R)-2,6-dimethyl-4-propylmorpholine
IUPAC name
(2S,6R)-2,6-dimethyl-4-propylmorpholine
SMILES
C[C@H](C1)O[C@@H](C)CN1CCC
INCHI
InChI=1S/C9H19NO/c1-4-5-10-6-8(2)11-9(3)7-10/h8-9H,4-7H2,1-3H3/t8-,9+
FORMULA
C9H19NO
Common name
(2S,6R)-2,6-dimethyl-4-propylmorpholine
IUPAC name
(2S,6R)-2,6-dimethyl-4-propylmorpholine
Molecular weight
157.253
clogP
1.505
clogS
-1.563
Frequency
0.0010
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
12.47
Number of Rings
1
Rotatable Bond
2
| 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 |
|---|---|---|---|---|---|
| 4f6u_ligand_3_19.mol2 | 4f6u | 0.961538 | -6.51 | C(CC)[NH+]1CCOCC1 | 9 |
| 4o44_ligand_3_0.mol2 | 4o44 | 0.961538 | -5.65 | CCC[NH+]1CCOCC1 | 9 |
| 2rfn_ligand_3_30.mol2 | 2rfn | 0.961538 | -5.37 | [NH+]1(CCOCC1)CCC | 9 |
| 2vrx_ligand_3_0.mol2 | 2vrx | 0.961538 | -5.31 | C(C)C[NH+]1CCOCC1 | 9 |
| 2itz_ligand_3_0.mol2 | 2itz | 0.961538 | -5.30 | C([NH+]1CCOCC1)CC | 9 |
| 3iej_ligand_3_0.mol2 | 3iej | 0.961538 | -5.28 | C([NH+]1CCOCC1)CC | 9 |
| 4lvt_ligand_3_525.mol2 | 4lvt | 0.961538 | -5.26 | C(CC)[NH+]1CCOCC1 | 9 |
| 2ity_ligand_3_5.mol2 | 2ity | 0.961538 | -5.24 | C(C)C[NH+]1CCOCC1 | 9 |
154 ,
16
