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DocumentationIdentifier: MM135930
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135930 |
| SMILES |
CC#CC(=O)CC(C)F
|
| InChIKey |
AIJIJRQZUMXRFI-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM237746
Similarity: 0.9192
Similarity to MM237746
| Tanimoto metric | 0.9192 |
|---|---|
| Cosine metric | 0.9587 |
| Dice metric | 0.9579 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237747
Similarity: 0.875
Similarity to MM237747
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237776
Similarity: 0.8505
Similarity to MM237776
| Tanimoto metric | 0.8505 |
|---|---|
| Cosine metric | 0.9222 |
| Dice metric | 0.9192 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+399 more
