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DocumentationIdentifier: MM264804
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264804 |
| SMILES |
CC#CC(=O)CC(F)C=O
|
| InChIKey |
QOSCYDAEYHWFKP-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15772
Similarity: 0.7931
Similarity to MM15772
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135930
Similarity: 0.7845
Similarity to MM135930
| Tanimoto metric | 0.7845 |
|---|---|
| Cosine metric | 0.8857 |
| Dice metric | 0.8792 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237746
Similarity: 0.7339
Similarity to MM237746
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.8465 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
