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DocumentationIdentifier: MM282233
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282233 |
| SMILES |
C=COC(=O)C=CC#CC
|
| InChIKey |
BIJTUKUUAVASHS-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158072
Similarity: 0.8571
Similarity to MM158072
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93441
Similarity: 0.7383
Similarity to MM93441
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8507 |
| Dice metric | 0.8495 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93436
Similarity: 0.7315
Similarity to MM93436
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8459 |
| Dice metric | 0.8449 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
