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DocumentationIdentifier: MM231609
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231609 |
| SMILES |
C#CC=CC(O)C(C)(C)F
|
| InChIKey |
XDMBFPRWQRQXEC-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.28
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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MM163190
Similarity: 0.7674
Similarity to MM163190
| Tanimoto metric | 0.7674 |
|---|---|
| Cosine metric | 0.876 |
| Dice metric | 0.8684 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM231588
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| Tanimoto metric | 0.671 |
|---|---|
| Cosine metric | 0.8031 |
| Dice metric | 0.8031 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM355630
Similarity: 0.6387
Similarity to MM355630
| Tanimoto metric | 0.6387 |
|---|---|
| Cosine metric | 0.7796 |
| Dice metric | 0.7795 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
