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DocumentationIdentifier: MM290637
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM290637 |
| SMILES |
C=CC#CC=CC=C(C)F
|
| InChIKey |
ZIALRVLRFHMALT-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
MM155088
Similarity: 0.9538
Similarity to MM155088
| Tanimoto metric | 0.9538 |
|---|---|
| Cosine metric | 0.9767 |
| Dice metric | 0.9764 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290645
Similarity: 0.8267
Similarity to MM290645
| Tanimoto metric | 0.8267 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.9051 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371755
Similarity: 0.8158
Similarity to MM371755
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.8986 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+533 more
