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DocumentationIdentifier: MM388101
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388101 |
| SMILES |
C=CC(C(C)C)C(C)CF
|
| InChIKey |
JQRVHMJAOFCSTA-UHFFFAOYSA-N
|
| MW [Da] |
144.23
Automatically obtained from RDkit software. |
| LogP |
3.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196924
Similarity: 0.875
Similarity to MM196924
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179685
Similarity: 0.8
Similarity to MM179685
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM376085
Similarity: 0.7579
Similarity to MM376085
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8623 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+621 more
