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DocumentationIdentifier: MM358128
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358128 |
| SMILES |
CCC#CC(C)C(=O)CF
|
| InChIKey |
YEQQMRNDCKGUHX-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174618
Similarity: 0.8692
Similarity to MM174618
| Tanimoto metric | 0.8692 |
|---|---|
| Cosine metric | 0.9323 |
| Dice metric | 0.93 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358413
Similarity: 0.7381
Similarity to MM358413
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8493 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293964
Similarity: 0.7304
Similarity to MM293964
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8466 |
| Dice metric | 0.8442 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+303 more
