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DocumentationIdentifier: MM319996
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319996 |
| SMILES |
C=CC(=C)COC(=O)C=C
|
| InChIKey |
COZPKHJPFKMJBA-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.46
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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MM145117
Similarity: 0.8396
Similarity to MM145117
| Tanimoto metric | 0.8396 |
|---|---|
| Cosine metric | 0.9163 |
| Dice metric | 0.9128 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM145175
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| Tanimoto metric | 0.7736 |
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| Cosine metric | 0.8795 |
| Dice metric | 0.8723 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM319697
Similarity: 0.7459
Similarity to MM319697
| Tanimoto metric | 0.7459 |
|---|---|
| Cosine metric | 0.8545 |
| Dice metric | 0.8545 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+56 more
