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DocumentationIdentifier: MM294021
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294021 |
| SMILES |
CCCC#CC(F)C(C)=O
|
| InChIKey |
QMKLZMSDAONTCH-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163590
Similarity: 0.9175
Similarity to MM163590
| Tanimoto metric | 0.9175 |
|---|---|
| Cosine metric | 0.9579 |
| Dice metric | 0.957 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294122
Similarity: 0.8835
Similarity to MM294122
| Tanimoto metric | 0.8835 |
|---|---|
| Cosine metric | 0.9381 |
| Dice metric | 0.9381 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294022
Similarity: 0.8505
Similarity to MM294022
| Tanimoto metric | 0.8505 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9192 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+344 more
