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DocumentationIdentifier: MM129980
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM129980 |
| SMILES |
CCC(C)CC(C)(C)F
|
| InChIKey |
LVEMHLSNXJCPJC-UHFFFAOYSA-N
|
| MW [Da] |
132.22
Automatically obtained from RDkit software. |
| LogP |
3.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM224099
Similarity: 0.9118
Similarity to MM224099
| Tanimoto metric | 0.9118 |
|---|---|
| Cosine metric | 0.9549 |
| Dice metric | 0.9538 |
| MW: | 146.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221083
Similarity: 0.8493
Similarity to MM221083
| Tanimoto metric | 0.8493 |
|---|---|
| Cosine metric | 0.9216 |
| Dice metric | 0.9185 |
| MW: | 146.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM222501
Similarity: 0.8267
Similarity to MM222501
| Tanimoto metric | 0.8267 |
|---|---|
| Cosine metric | 0.9092 |
| Dice metric | 0.9051 |
| MW: | 146.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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