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DocumentationIdentifier: MM96951
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM96951 |
| SMILES |
FC=CC=CF
|
| InChIKey |
RXJPYUWYMSTJKF-UHFFFAOYSA-N
|
| MW [Da] |
90.07
Automatically obtained from RDkit software. |
| LogP |
1.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM23785
Similarity: 0.8889
Similarity to MM23785
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 72.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25268
Similarity: 0.6667
Similarity to MM25268
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.804 |
| Dice metric | 0.8 |
| MW: | 86.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97675
Similarity: 0.6429
Similarity to MM97675
| Tanimoto metric | 0.6429 |
|---|---|
| Cosine metric | 0.8018 |
| Dice metric | 0.7826 |
| MW: | 108.06 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+88 more
