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DocumentationIdentifier: MM39704
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM39704 |
| SMILES |
O=CC#CC=CC=O
|
| InChIKey |
BMPNIWUHJRJBRL-UHFFFAOYSA-N
|
| MW [Da] |
108.1
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28251
Similarity: 0.8095
Similarity to MM28251
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 94.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM100970
Similarity: 0.8095
Similarity to MM100970
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 94.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM126594
Similarity: 0.7234
Similarity to MM126594
| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8401 |
| Dice metric | 0.8395 |
| MW: | 106.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
