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DocumentationIdentifier: MM137604
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137604 |
| SMILES |
CC(CF)C(C)(C)C=O
|
| InChIKey |
IBGXUJLZSFDFAO-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
1.82
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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MM35360
Similarity: 0.7463
Similarity to MM35360
| Tanimoto metric | 0.7463 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8547 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137530
Similarity: 0.7403
Similarity to MM137530
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8507 |
| Dice metric | 0.8507 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103047
Similarity: 0.7164
Similarity to MM103047
| Tanimoto metric | 0.7164 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8348 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+451 more
