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DocumentationIdentifier: MM242347
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242347 |
| SMILES |
CCOC(=O)C(C)(C)C#N
|
| InChIKey |
FYGRPGOHQCPZCV-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
1.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM76933
Similarity: 0.7308
Similarity to MM76933
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8444 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02110
Similarity: 0.712
Similarity to MM02110
| Tanimoto metric | 0.712 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8318 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242390
Similarity: 0.6985
Similarity to MM242390
| Tanimoto metric | 0.6985 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8225 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+384 more
