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DocumentationIdentifier: MM359269
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM359269 |
| SMILES |
C=CC#CC(=O)CC#CC
|
| InChIKey |
CZXVRUREVIBWHX-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.16
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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MM158618
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| Tanimoto metric | 0.9241 |
|---|---|
| Cosine metric | 0.9613 |
| Dice metric | 0.9605 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM281358
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| Tanimoto metric | 0.8902 |
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| Cosine metric | 0.9421 |
| Dice metric | 0.9419 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM169315
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Similarity to MM169315
| Tanimoto metric | 0.7927 |
|---|---|
| Cosine metric | 0.8868 |
| Dice metric | 0.8844 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+273 more
