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DocumentationIdentifier: MM143065
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM143065 |
| SMILES |
CC=C(C)CC(=O)CC
|
| InChIKey |
WCGMLWCUUJVXJQ-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.32
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 | 0.8817 |
|---|---|
| Cosine metric | 0.939 |
| Dice metric | 0.9371 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8283 |
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| Cosine metric | 0.9101 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.71 |
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MM333061
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Similarity to MM333061
| Tanimoto metric | 0.7961 |
|---|---|
| Cosine metric | 0.8923 |
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| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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