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DocumentationIdentifier: MM360023
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360023 |
| SMILES |
O=CC#CC(=O)C#CCF
|
| InChIKey |
NWNJGZRFONMSTM-UHFFFAOYSA-N
|
| MW [Da] |
138.1
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM158745
Similarity: 0.8451
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| Tanimoto metric | 0.8451 |
|---|---|
| Cosine metric | 0.9193 |
| Dice metric | 0.916 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM359997
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| Tanimoto metric | 0.8451 |
|---|---|
| Cosine metric | 0.9193 |
| Dice metric | 0.916 |
| MW: | 142.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
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Total active interactions
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MM359995
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| Tanimoto metric | 0.7654 |
|---|---|
| Cosine metric | 0.8672 |
| Dice metric | 0.8671 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+131 more
