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DocumentationIdentifier: MM281106
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281106 |
| SMILES |
CCCC(=O)CC#CC=O
|
| InChIKey |
ZWQDCWXTDZVCBA-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.95
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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MM157068
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| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8158 |
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| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM259677
Similarity: 0.7805
Similarity to MM259677
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8775 |
| Dice metric | 0.8767 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+281 more
