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DocumentationIdentifier: MM382007
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382007 |
| SMILES |
C=CC(=C)C(=CF)CCF
|
| InChIKey |
XHQGACWSGXMUGY-UHFFFAOYSA-N
|
| MW [Da] |
144.16
Automatically obtained from RDkit software. |
| LogP |
2.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180380
Similarity: 0.7788
Similarity to MM180380
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8825 |
| Dice metric | 0.8756 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173794
Similarity: 0.6549
Similarity to MM173794
| Tanimoto metric | 0.6549 |
|---|---|
| Cosine metric | 0.8092 |
| Dice metric | 0.7914 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM275659
Similarity: 0.6496
Similarity to MM275659
| Tanimoto metric | 0.6496 |
|---|---|
| Cosine metric | 0.7876 |
| Dice metric | 0.7876 |
| MW: | 150.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+237 more
