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DocumentationIdentifier: MM299465
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM299465 |
| SMILES |
CC(=O)C(C)C(=O)C=CF
|
| InChIKey |
BRVCKSPBIPNRDG-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM294497
Similarity: 0.7402
Similarity to MM294497
| Tanimoto metric | 0.7402 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8507 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174357
Similarity: 0.7227
Similarity to MM174357
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8501 |
| Dice metric | 0.839 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350855
Similarity: 0.688
Similarity to MM350855
| Tanimoto metric | 0.688 |
|---|---|
| Cosine metric | 0.8219 |
| Dice metric | 0.8152 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
