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DocumentationIdentifier: MM15290
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15290 |
| SMILES |
C#CC(F)(C#C)C(C)=O
|
| InChIKey |
SNLOZPUKALTLQO-UHFFFAOYSA-N
|
| MW [Da] |
124.11
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28758
Similarity: 0.8365
Similarity to MM28758
| Tanimoto metric | 0.8365 |
|---|---|
| Cosine metric | 0.9146 |
| Dice metric | 0.911 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307495
Similarity: 0.782
Similarity to MM307495
| Tanimoto metric | 0.782 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8776 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77011
Similarity: 0.6933
Similarity to MM77011
| Tanimoto metric | 0.6933 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8189 |
| MW: | 140.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+89 more
