Common name
[(2R)-morpholin-2-yl]methanol
IUPAC name
[(2R)-morpholin-2-yl]methanol
SMILES
C(O)C1OCCNC1
Common name
[(2R)-morpholin-2-yl]methanol
IUPAC name
[(2R)-morpholin-2-yl]methanol
SMILES
C(O)C1OCCNC1
INCHI
InChI=1S/C5H11NO2/c7-4-5-3-6-1-2-8-5/h5-7H,1-4H2/t5-/m1/s1
FORMULA
C5H11NO2
Common name
[(2R)-morpholin-2-yl]methanol
IUPAC name
[(2R)-morpholin-2-yl]methanol
Molecular weight
117.146
clogP
0.429
clogS
-0.327
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
41.49
Number of Rings
1
Rotatable Bond
1
| 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 |
|---|---|---|---|---|---|
| 4xu1_ligand_2_33.mol2 | 4xu1 | 1 | -5.39 | OC[C@H]1OCC[NH2+]C1 | 8 |
| 4o44_ligand_4_0.mol2 | 4o44 | 0.848485 | -5.43 | OCCC[NH+]1CCOCC1 | 10 |
| 2rfn_ligand_4_100.mol2 | 2rfn | 0.848485 | -5.08 | [NH+]1(CCOCC1)CCCO | 10 |
| 2vrx_ligand_4_0.mol2 | 2vrx | 0.848485 | -5.05 | C(CO)C[NH+]1CCOCC1 | 10 |
| 2itz_ligand_4_0.mol2 | 2itz | 0.848485 | -5.03 | C([NH+]1CCOCC1)CCO | 10 |
| 2ity_ligand_4_4.mol2 | 2ity | 0.848485 | -4.98 | OCCC[NH+]1CCOCC1 | 10 |
| 2ito_ligand_4_0.mol2 | 2ito | 0.848485 | -4.97 | OCCC[NH+]1CCOCC1 | 10 |
112 ,
12
