Common name
(2R)-2-(phenoxymethyl)morpholine
IUPAC name
(2R)-2-(phenoxymethyl)morpholine
SMILES
c1(ccccc1)OCC2OCCNC2
Common name
(2R)-2-(phenoxymethyl)morpholine
IUPAC name
(2R)-2-(phenoxymethyl)morpholine
SMILES
c1(ccccc1)OCC2OCCNC2
INCHI
InChI=1S/C11H15NO2/c1-2-4-10(5-3-1)14-9-11-8-12-6-7-13-11/h1-5,11-12H,6-9H2/t11-/m1/s1
FORMULA
C11H15NO2
Common name
(2R)-2-(phenoxymethyl)morpholine
IUPAC name
(2R)-2-(phenoxymethyl)morpholine
Molecular weight
193.242
clogP
1.979
clogS
-2.459
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
30.49
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00122 | Reboxetine |
|
Nervous System; Antidepressants; Psychoanaleptics; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of clinical depression. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1dy4_ligand.mol2 | 1dy4 | 0.770492 | -8.79 | c1(cccc2ccccc12)OC[C@@H](O)C[NH2+]C1CC1 | 20 |
| 5alm_ligand_3_5.mol2 | 5alm | 0.651515 | -7.55 | C[N@@H+]1CC[C@@](C1)(C)Oc1ccccc1 | 14 |
| 5alm_ligand_2_2.mol2 | 5alm | 0.651515 | -7.53 | C1C[NH2+]C[C@]1(C)Oc1ccccc1 | 13 |
| 2qmg_ligand_2_54.mol2 | 2qmg | 0.646154 | -6.86 | O(c1ccccc1)[C@H]1C[NH2+]CC1 | 12 |
| 2qmf_ligand_2_77.mol2 | 2qmf | 0.646154 | -6.78 | [C@@H]1(C[NH2+]CC1)Oc1ccccc1 | 12 |
| 2bal_ligand_2_5.mol2 | 2bal | 0.609375 | -6.46 | C1(CC[NH2+]CC1)Oc1ccccc1 | 13 |
| 2qmg_ligand_3_163.mol2 | 2qmg | 0.608108 | -7.14 | O(c1ccccc1)[C@H]1C[NH2+][C@@H](CO)C1 | 14 |
| 2qmf_ligand_3_284.mol2 | 2qmf | 0.608108 | -7.06 | [C@@H]1(C[NH2+][C@H](C1)CO)Oc1ccccc1 | 14 |
| 4d2s_ligand_2_0.mol2 | 4d2s | 0.6 | -6.52 | c1(ccccc1)O[C@@H]1CC[N@@H+](CC1)C | 14 |
| 5ap0_ligand_2_14.mol2 | 5ap0 | 0.6 | -6.34 | c1ccc(cc1)O[C@@H]1CC[N@H+](CC1)C | 14 |
142 ,
15
