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DocumentationIdentifier: MM23841
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM23841 |
| SMILES |
CC(C)(C)CF
|
| InChIKey |
CZJHAXLHYWLWBS-UHFFFAOYSA-N
|
| MW [Da] |
90.14
Automatically obtained from RDkit software. |
| LogP |
2
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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MM23568
Similarity: 0.7778
Similarity to MM23568
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 76.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97263
Similarity: 0.75
Similarity to MM97263
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 108.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM97120
Similarity: 0.6429
Similarity to MM97120
| Tanimoto metric | 0.6429 |
|---|---|
| Cosine metric | 0.8018 |
| Dice metric | 0.7826 |
| MW: | 108.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+144 more
