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DocumentationIdentifier: MM59193
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59193 |
| SMILES |
CC(C)(C#CCO)OC=O
|
| InChIKey |
PGYFEKWXEOKBMP-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.07
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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MM46905
Similarity: 0.7579
Similarity to MM46905
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8623 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM282687
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| Tanimoto metric | 0.7129 |
|---|---|
| Cosine metric | 0.8364 |
| Dice metric | 0.8324 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM234433
Similarity: 0.6838
Similarity to MM234433
| Tanimoto metric | 0.6838 |
|---|---|
| Cosine metric | 0.8127 |
| Dice metric | 0.8122 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+180 more
