Common name
2-[[(2R)-morpholin-2-yl]methoxy]phenol
IUPAC name
2-[[(2R)-morpholin-2-yl]methoxy]phenol
SMILES
c1(c(cccc1)O)OCC2OCCNC2
Common name
2-[[(2R)-morpholin-2-yl]methoxy]phenol
IUPAC name
2-[[(2R)-morpholin-2-yl]methoxy]phenol
SMILES
c1(c(cccc1)O)OCC2OCCNC2
INCHI
InChI=1S/C11H15NO3/c13-10-3-1-2-4-11(10)15-8-9-7-12-5-6-14-9/h1-4,9,12-13H,5-8H2/t9-/m1/s1
FORMULA
C11H15NO3
Common name
2-[[(2R)-morpholin-2-yl]methoxy]phenol
IUPAC name
2-[[(2R)-morpholin-2-yl]methoxy]phenol
Molecular weight
209.242
clogP
1.468
clogS
-2.039
Frequency
0.0003
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
50.72
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 | 0.723077 | -8.79 | c1(cccc2ccccc12)OC[C@@H](O)C[NH2+]C1CC1 | 20 |
| 5alm_ligand_3_5.mol2 | 5alm | 0.614286 | -7.55 | C[N@@H+]1CC[C@@](C1)(C)Oc1ccccc1 | 14 |
| 5alm_ligand_2_2.mol2 | 5alm | 0.614286 | -7.53 | C1C[NH2+]C[C@]1(C)Oc1ccccc1 | 13 |
| 2qmg_ligand_2_54.mol2 | 2qmg | 0.608696 | -6.86 | O(c1ccccc1)[C@H]1C[NH2+]CC1 | 12 |
| 2qmf_ligand_2_77.mol2 | 2qmf | 0.608696 | -6.78 | [C@@H]1(C[NH2+]CC1)Oc1ccccc1 | 12 |
| 5alg_ligand_2_8.mol2 | 5alg | 0.607143 | -7.04 | C([C@H]1COc2c(cccc2)O1)NC=O | 14 |
| 2qmg_ligand_3_163.mol2 | 2qmg | 0.576923 | -7.14 | O(c1ccccc1)[C@H]1C[NH2+][C@@H](CO)C1 | 14 |
| 2qmf_ligand_3_284.mol2 | 2qmf | 0.576923 | -7.06 | [C@@H]1(C[NH2+][C@H](C1)CO)Oc1ccccc1 | 14 |
| 2bal_ligand_2_5.mol2 | 2bal | 0.573529 | -6.46 | C1(CC[NH2+]CC1)Oc1ccccc1 | 13 |
| 4yv0_ligand_1_1.mol2 | 4yv0 | 0.573034 | -7.48 | C(=O)(NC)[C@@H]1COc2c(cccc2)O1 | 14 |
101 ,
11
