Common name
morpholin-4-ylmethanimine
IUPAC name
morpholin-4-ylmethanimine
SMILES
C(=N)N1CCOCC1
Common name
morpholin-4-ylmethanimine
IUPAC name
morpholin-4-ylmethanimine
SMILES
C(=N)N1CCOCC1
INCHI
InChI=1S/C5H10N2O/c6-5-7-1-3-8-4-2-7/h5-6H,1-4H2
FORMULA
C5H10N2O
Common name
morpholin-4-ylmethanimine
IUPAC name
morpholin-4-ylmethanimine
Molecular weight
114.146
clogP
0.705
clogS
-0.102
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
36.32
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02971 | moroxydine |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4f6u_ligand_1_5.mol2 | 4f6u | 0.76 | -5.94 | C[NH+]1CCOCC1 | 7 |
| 3hv6_ligand_1_0.mol2 | 3hv6 | 0.76 | -5.71 | C[NH+]1CCOCC1 | 7 |
| 1kv2_ligand_1_6.mol2 | 1kv2 | 0.76 | -5.69 | C[NH+]1CCOCC1 | 7 |
| 4f70_ligand_1_4.mol2 | 4f70 | 0.76 | -5.58 | [NH+]1(CCOCC1)C | 7 |
| 1a7t_ligand_1_0.mol2 | 1a7t | 0.76 | -5.53 | C[NH+]1CCOCC1 | 7 |
| 3fzs_ligand_1_6.mol2 | 3fzs | 0.76 | -5.42 | C[NH+]1CCOCC1 | 7 |
| 1fq4_ligand_1_13.mol2 | 1fq4 | 0.76 | -5.41 | O1CC[NH+](CC1)C | 7 |
104 ,
11
