Common name
1,1-dimethyl-4-oxa-1λ4-azacyclohexane
IUPAC name
1,1-dimethyl-4-oxa-1λ4-azacyclohexane
SMILES
O1CC[N](CC1)(C)C
Common name
1,1-dimethyl-4-oxa-1λ4-azacyclohexane
IUPAC name
1,1-dimethyl-4-oxa-1λ4-azacyclohexane
SMILES
O1CC[N](CC1)(C)C
INCHI
InChI=1S/C6H14NO/c1-7(2)3-5-8-6-4-7/h3-6H2,1-2H3
FORMULA
C6H14NO
Common name
1,1-dimethyl-4-oxa-1λ4-azacyclohexane
IUPAC name
1,1-dimethyl-4-oxa-1λ4-azacyclohexane
Molecular weight
116.181
clogP
-1.593
clogS
-1.505
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01672 | Pinaverium |
|
Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4f6u_ligand_1_5.mol2 | 4f6u | 1 | -5.94 | C[NH+]1CCOCC1 | 7 |
| 3hv6_ligand_1_0.mol2 | 3hv6 | 1 | -5.71 | C[NH+]1CCOCC1 | 7 |
| 1kv2_ligand_1_6.mol2 | 1kv2 | 1 | -5.69 | C[NH+]1CCOCC1 | 7 |
| 4f70_ligand_1_4.mol2 | 4f70 | 1 | -5.58 | [NH+]1(CCOCC1)C | 7 |
| 1a7t_ligand_1_0.mol2 | 1a7t | 1 | -5.53 | C[NH+]1CCOCC1 | 7 |
| 3fzs_ligand_1_6.mol2 | 3fzs | 1 | -5.42 | C[NH+]1CCOCC1 | 7 |
| 1fq4_ligand_1_13.mol2 | 1fq4 | 1 | -5.41 | O1CC[NH+](CC1)C | 7 |
104 ,
11
