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DocumentationIdentifier: MM241013
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241013 |
| SMILES |
CCC(C)(C)C=COC=O
|
| InChIKey |
WCPPZIBMOJKXID-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
2.11
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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MM169522
Similarity: 0.8267
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| Tanimoto metric | 0.8267 |
|---|---|
| Cosine metric | 0.9092 |
| Dice metric | 0.9051 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM138744
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| Tanimoto metric | 0.8133 |
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| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM423314
Similarity: 0.7561
Similarity to MM423314
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8611 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+507 more
