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DocumentationIdentifier: MM352635
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352635 |
| SMILES |
NC(CF)C(O)CC=CF
|
| InChIKey |
RQRLPLNAOVLKQZ-UHFFFAOYSA-N
|
| MW [Da] |
151.16
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171931
Similarity: 0.824
Similarity to MM171931
| Tanimoto metric | 0.824 |
|---|---|
| Cosine metric | 0.9077 |
| Dice metric | 0.9035 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162802
Similarity: 0.72
Similarity to MM162802
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268461
Similarity: 0.6604
Similarity to MM268461
| Tanimoto metric | 0.6604 |
|---|---|
| Cosine metric | 0.7966 |
| Dice metric | 0.7955 |
| MW: | 151.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+343 more
