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DocumentationIdentifier: MM57839
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57839 |
| SMILES |
C#CC#CC(CN)OC=O
|
| InChIKey |
QQVFBSHVPHMWTE-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178368
Similarity: 0.8364
Similarity to MM178368
| Tanimoto metric | 0.8364 |
|---|---|
| Cosine metric | 0.9145 |
| Dice metric | 0.9109 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379818
Similarity: 0.697
Similarity to MM379818
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8216 |
| Dice metric | 0.8214 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158439
Similarity: 0.6727
Similarity to MM158439
| Tanimoto metric | 0.6727 |
|---|---|
| Cosine metric | 0.8202 |
| Dice metric | 0.8043 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+114 more
