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DocumentationIdentifier: MM129486
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM129486 |
| SMILES |
N#CC#CC(=O)CC=O
|
| InChIKey |
OYWRESJATKOQMJ-UHFFFAOYSA-N
|
| MW [Da] |
121.1
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM37250
Similarity: 0.7895
Similarity to MM37250
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 107.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02108
Similarity: 0.7368
Similarity to MM02108
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158515
Similarity: 0.6889
Similarity to MM158515
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.8158 |
| Dice metric | 0.8158 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+67 more
