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DocumentationIdentifier: MM108019
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108019 |
| SMILES |
C#CC=C(F)C#CC
|
| InChIKey |
ACVBNVZIQJNSDD-UHFFFAOYSA-N
|
| MW [Da] |
108.12
Automatically obtained from RDkit software. |
| LogP |
1.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159885
Similarity: 0.9194
Similarity to MM159885
| Tanimoto metric | 0.9194 |
|---|---|
| Cosine metric | 0.9588 |
| Dice metric | 0.958 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114923
Similarity: 0.85
Similarity to MM114923
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.9193 |
| Dice metric | 0.9189 |
| MW: | 108.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159433
Similarity: 0.8382
Similarity to MM159433
| Tanimoto metric | 0.8382 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.912 |
| MW: | 120.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+476 more
