Common name
(2S)-2-benzylmorpholine
IUPAC name
(2S)-2-benzylmorpholine
SMILES
c1(ccccc1)CC2OCCNC2
Common name
(2S)-2-benzylmorpholine
IUPAC name
(2S)-2-benzylmorpholine
SMILES
c1(ccccc1)CC2OCCNC2
INCHI
InChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-12H,6-9H2/t11-/m0/s1
FORMULA
C11H15NO
Common name
(2S)-2-benzylmorpholine
IUPAC name
(2S)-2-benzylmorpholine
Molecular weight
177.243
clogP
2.487
clogS
-2.713
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
21.26
Number of Rings
2
Rotatable Bond
2
| 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 |
|---|---|---|---|---|---|
| 4jv9_ligand_2_3.mol2 | 4jv9 | 0.791667 | -6.46 | C1N(C(=O)[C@@H](OC1)Cc1ccccc1)C | 15 |
| 4jv7_ligand_2_3.mol2 | 4jv7 | 0.791667 | -6.41 | c1(ccccc1)C[C@H]1C(=O)N(CCO1)C | 15 |
| 4jve_ligand_2_15.mol2 | 4jve | 0.721519 | -6.24 | C1NC(=O)[C@@H](OC1)Cc1ccc(cc1)F | 15 |
| 2xyf_ligand_4_2.mol2 | 2xyf | 0.606061 | -7.00 | CNC(=O)[C@@](O)(C)Cc1ccccc1 | 14 |
| 2xye_ligand_4_478.mol2 | 2xye | 0.606061 | -6.99 | C(c1ccccc1)[C@@](C)(O)C(=O)NC | 14 |
| 2xyf_ligand_3_16.mol2 | 2xyf | 0.606061 | -6.67 | CNC(=O)[C@H](O)Cc1ccccc1 | 13 |
| 1riw_ligand_4_293.mol2 | 1riw | 0.606061 | -5.43 | CNC(=O)[C@@H](Cc1ccccc1)O | 13 |
208 ,
21
