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DocumentationIdentifier: MM455636
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455636 |
| SMILES |
CC=CC#CC=CC=CF
|
| InChIKey |
DFDAOVVFILKOIG-UHFFFAOYSA-N
|
| MW [Da] |
136.17
Automatically obtained from RDkit software. |
| LogP |
2.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215890
Similarity: 0.9592
Similarity to MM215890
| Tanimoto metric | 0.9592 |
|---|---|
| Cosine metric | 0.9794 |
| Dice metric | 0.9792 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126800
Similarity: 0.898
Similarity to MM126800
| Tanimoto metric | 0.898 |
|---|---|
| Cosine metric | 0.9476 |
| Dice metric | 0.9462 |
| MW: | 110.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290639
Similarity: 0.7833
Similarity to MM290639
| Tanimoto metric | 0.7833 |
|---|---|
| Cosine metric | 0.8816 |
| Dice metric | 0.8785 |
| MW: | 140.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+577 more
