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 |
|---|---|---|---|---|---|
| 2vvt_ligand_1_6.mol2 | 2vvt | 1 | -5.37 | C[NH+]1CCOCC1 | 7 |
| 2vcj_ligand_1_0.mol2 | 2vcj | 1 | -5.31 | C[NH+]1CCOCC1 | 7 |
| 4d08_ligand_1_6.mol2 | 4d08 | 1 | -5.30 | C[NH+]1CCOCC1 | 7 |
| 2w1e_ligand_1_1.mol2 | 2w1e | 1 | -5.29 | [NH+]1(CCOCC1)C | 7 |
| 4q4r_ligand_1_3.mol2 | 4q4r | 1 | -5.27 | [NH+]1(CCOCC1)C | 7 |
| 4edz_ligand_1_3.mol2 | 4edz | 1 | -5.24 | [NH+]1(CCOCC1)C | 7 |
| 4puj_ligand_1_3.mol2 | 4puj | 1 | -5.21 | C[NH+]1CCOCC1 | 7 |
104 ,
11
