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DocumentationIdentifier: MM170935
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170935 |
| SMILES |
CC=C(F)C#CC=CF
|
| InChIKey |
DNFHDPAYMQTRPS-UHFFFAOYSA-N
|
| MW [Da] |
128.12
Automatically obtained from RDkit software. |
| LogP |
2.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114648
Similarity: 0.8333
Similarity to MM114648
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 110.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170934
Similarity: 0.7639
Similarity to MM170934
| Tanimoto metric | 0.7639 |
|---|---|
| Cosine metric | 0.8668 |
| Dice metric | 0.8661 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159433
Similarity: 0.7403
Similarity to MM159433
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8508 |
| Dice metric | 0.8507 |
| MW: | 120.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+640 more
