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DocumentationIdentifier: MM254905
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254905 |
| SMILES |
CC(C)CCC(=O)C(C)C
|
| InChIKey |
HFNWDYQEGABWQS-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.65
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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MM162383
Similarity: 0.9298
Similarity to MM162383
| Tanimoto metric | 0.9298 |
|---|---|
| Cosine metric | 0.9643 |
| Dice metric | 0.9636 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM144596
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Similarity to MM144596
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM302010
Similarity: 0.8413
Similarity to MM302010
| Tanimoto metric | 0.8413 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9138 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
