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DocumentationIdentifier: MM137985
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137985 |
| SMILES |
CC=C(C)C(C)(C)CC
|
| InChIKey |
WDLGLTFOBAKTPU-UHFFFAOYSA-N
|
| MW [Da] |
126.24
Automatically obtained from RDkit software. |
| LogP |
3.39
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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| Tanimoto metric | 0.8721 |
|---|---|
| Cosine metric | 0.9339 |
| Dice metric | 0.9317 |
| MW: | 140.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8427 |
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| Cosine metric | 0.918 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 3.78 |
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MM242785
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Similarity to MM242785
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.8793 |
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| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.55 |
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|---|---|---|---|---|---|
| AI: | 0
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