Common name
1-ethyl-1-methyl-4-oxa-1λ4-azacyclohexane
IUPAC name
1-ethyl-1-methyl-4-oxa-1λ4-azacyclohexane
SMILES
O1CC[N](CC1)(C)CC
Common name
1-ethyl-1-methyl-4-oxa-1λ4-azacyclohexane
IUPAC name
1-ethyl-1-methyl-4-oxa-1λ4-azacyclohexane
SMILES
O1CC[N](CC1)(C)CC
INCHI
InChI=1S/C7H16NO/c1-3-8(2)4-6-9-7-5-8/h3-7H2,1-2H3
FORMULA
C7H16NO
Common name
1-ethyl-1-methyl-4-oxa-1λ4-azacyclohexane
IUPAC name
1-ethyl-1-methyl-4-oxa-1λ4-azacyclohexane
Molecular weight
130.208
clogP
-1.320
clogS
-1.927
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
1
| 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_2_14.mol2 | 4f6u | 1 | -6.29 | C(C)[NH+]1CCOCC1 | 8 |
| 3hv6_ligand_2_0.mol2 | 3hv6 | 1 | -5.95 | C([NH+]1CCOCC1)C | 8 |
| 1kv2_ligand_2_20.mol2 | 1kv2 | 1 | -5.93 | CC[NH+]1CCOCC1 | 8 |
| 4f70_ligand_2_9.mol2 | 4f70 | 1 | -5.90 | [NH+]1(CCOCC1)CC | 8 |
| 1a7t_ligand_2_0.mol2 | 1a7t | 1 | -5.78 | CC[NH+]1CCOCC1 | 8 |
| 3fzs_ligand_2_20.mol2 | 3fzs | 1 | -5.68 | C([NH+]1CCOCC1)C | 8 |
| 1fq4_ligand_2_117.mol2 | 1fq4 | 1 | -5.67 | O1CC[NH+](CC1)CC | 8 |
| 2vvt_ligand_2_35.mol2 | 2vvt | 1 | -5.57 | CC[NH+]1CCOCC1 | 8 |
| 4q4r_ligand_2_5.mol2 | 4q4r | 1 | -5.48 | [NH+]1(CCOCC1)CC | 8 |
115 ,
12
