Common name
(2S)-2-methylmorpholine
IUPAC name
(2S)-2-methylmorpholine
SMILES
CC1OCCNC1
Common name
(2S)-2-methylmorpholine
IUPAC name
(2S)-2-methylmorpholine
SMILES
CC1OCCNC1
INCHI
InChI=1S/C5H11NO/c1-5-4-6-2-3-7-5/h5-6H,2-4H2,1H3/t5-/m0/s1
FORMULA
C5H11NO
Common name
(2S)-2-methylmorpholine
IUPAC name
(2S)-2-methylmorpholine
Molecular weight
101.147
clogP
1.099
clogS
-0.861
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
21.26
Number of Rings
1
Rotatable Bond
0
| 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_1_7.mol2 | 4xu1 | 1 | -5.62 | C[C@H]1OCC[NH2+]C1 | 7 |
| 4f6u_ligand_3_19.mol2 | 4f6u | 0.96 | -6.51 | C(CC)[NH+]1CCOCC1 | 9 |
| 4o44_ligand_3_0.mol2 | 4o44 | 0.96 | -5.65 | CCC[NH+]1CCOCC1 | 9 |
| 2rfn_ligand_3_30.mol2 | 2rfn | 0.96 | -5.37 | [NH+]1(CCOCC1)CCC | 9 |
| 2vrx_ligand_3_0.mol2 | 2vrx | 0.96 | -5.31 | C(C)C[NH+]1CCOCC1 | 9 |
| 2itz_ligand_3_0.mol2 | 2itz | 0.96 | -5.30 | C([NH+]1CCOCC1)CC | 9 |
| 3iej_ligand_3_0.mol2 | 3iej | 0.96 | -5.28 | C([NH+]1CCOCC1)CC | 9 |
| 4lvt_ligand_3_525.mol2 | 4lvt | 0.96 | -5.26 | C(CC)[NH+]1CCOCC1 | 9 |
129 ,
13
