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DocumentationIdentifier: MM155088
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155088 |
| SMILES |
CC#CC=CC=C(C)F
|
| InChIKey |
XTNSBVRAQLKKOD-UHFFFAOYSA-N
|
| MW [Da] |
124.16
Automatically obtained from RDkit software. |
| LogP |
2.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM290637
Similarity: 0.9538
Similarity to MM290637
| Tanimoto metric | 0.9538 |
|---|---|
| Cosine metric | 0.9767 |
| Dice metric | 0.9764 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290645
Similarity: 0.8611
Similarity to MM290645
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.928 |
| Dice metric | 0.9254 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371755
Similarity: 0.8493
Similarity to MM371755
| Tanimoto metric | 0.8493 |
|---|---|
| Cosine metric | 0.9216 |
| Dice metric | 0.9185 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+706 more
