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DocumentationIdentifier: MM225122
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225122 |
| SMILES |
CCC(=O)C=CC(C)(C)C
|
| InChIKey |
PULAKFKNPWPSRZ-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
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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MM145688
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| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM130474
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| Tanimoto metric | 0.7568 |
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| Cosine metric | 0.8699 |
| Dice metric | 0.8615 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.18 |
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|---|---|---|---|---|---|
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MM255572
Similarity: 0.7529
Similarity to MM255572
| Tanimoto metric | 0.7529 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8591 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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