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DocumentationIdentifier: MM229177
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229177 |
| SMILES |
CC(C)OC(C)(C#N)C=O
|
| InChIKey |
YFPDAWZBUJLYNW-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42362
Similarity: 0.9109
Similarity to MM42362
| Tanimoto metric | 0.9109 |
|---|---|
| Cosine metric | 0.9544 |
| Dice metric | 0.9534 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77388
Similarity: 0.8545
Similarity to MM77388
| Tanimoto metric | 0.8545 |
|---|---|
| Cosine metric | 0.9216 |
| Dice metric | 0.9216 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77335
Similarity: 0.8
Similarity to MM77335
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.8889 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+400 more
