Common name
morpholine-4-carboxylic acid
IUPAC name
morpholine-4-carboxylic acid
SMILES
O=C(O)N1CCOCC1
Common name
morpholine-4-carboxylic acid
IUPAC name
morpholine-4-carboxylic acid
SMILES
O=C(O)N1CCOCC1
INCHI
InChI=1S/C5H9NO3/c7-5(8)6-1-3-9-4-2-6/h1-4H2,(H,7,8)
FORMULA
C5H9NO3
Common name
morpholine-4-carboxylic acid
IUPAC name
morpholine-4-carboxylic acid
Molecular weight
131.130
clogP
-0.207
clogS
0.596
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
49.77
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02670 | cyclopyrimorate |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4egh_ligand_frag_0.mol2 | 4egh | 0.806452 | -5.90 | O=CN1CCOCC1 | 8 |
| 2xht_ligand_frag_2.mol2 | 2xht | 0.806452 | -5.87 | C(=O)N1CCOCC1 | 8 |
| 2uwp_ligand_frag_5.mol2 | 2uwp | 0.806452 | -5.72 | C(=O)N1CCOCC1 | 8 |
| 2uwo_ligand_frag_4.mol2 | 2uwo | 0.806452 | -5.71 | C(=O)N1CCOCC1 | 8 |
| 2j2u_ligand_frag_4.mol2 | 2j2u | 0.806452 | -5.69 | C(=O)N1CCOCC1 | 8 |
| 2j94_ligand_frag_0.mol2 | 2j94 | 0.806452 | -5.69 | O=CN1CCOCC1 | 8 |
| 1w2x_ligand_frag_0.mol2 | 1w2x | 0.806452 | -5.66 | C1COCCN1C=O | 8 |
| 2uwl_ligand_frag_4.mol2 | 2uwl | 0.806452 | -5.66 | C(=O)N1CCOCC1 | 8 |
| 2cji_ligand_frag_4.mol2 | 2cji | 0.806452 | -5.65 | C(=O)N1CCOCC1 | 8 |
| 2j34_ligand_frag_4.mol2 | 2j34 | 0.806452 | -5.65 | C(=O)N1CCOCC1 | 8 |
111 ,
12
