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DocumentationIdentifier: MM196924
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196924 |
| SMILES |
C=CC(CC)C(C)CF
|
| InChIKey |
NKQBTBHZWQMOQE-UHFFFAOYSA-N
|
| MW [Da] |
130.21
Automatically obtained from RDkit software. |
| LogP |
2.8
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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MM388101
Similarity: 0.875
Similarity to MM388101
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 144.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179685
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Similarity to MM179685
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.8964 |
| Dice metric | 0.8955 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376502
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Similarity to MM376502
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.897 |
| Dice metric | 0.8917 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+617 more
