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DocumentationIdentifier: MM224369
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224369 |
| SMILES |
CC=C(CN)OC(C)(C)C
|
| InChIKey |
QGOGNXPJFKHVIU-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130174
Similarity: 0.7327
Similarity to MM130174
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8457 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273405
Similarity: 0.7083
Similarity to MM273405
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8294 |
| Dice metric | 0.8293 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130261
Similarity: 0.703
Similarity to MM130261
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8256 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+593 more
