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DocumentationIdentifier: MM241743
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241743 |
| SMILES |
CC#CC#CC(C)(F)C=O
|
| InChIKey |
PFAHBFUTJCIFQS-UHFFFAOYSA-N
|
| MW [Da] |
138.14
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139126
Similarity: 0.8812
Similarity to MM139126
| Tanimoto metric | 0.8812 |
|---|---|
| Cosine metric | 0.9387 |
| Dice metric | 0.9368 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312196
Similarity: 0.7739
Similarity to MM312196
| Tanimoto metric | 0.7739 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8725 |
| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312273
Similarity: 0.712
Similarity to MM312273
| Tanimoto metric | 0.712 |
|---|---|
| Cosine metric | 0.8331 |
| Dice metric | 0.8318 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+281 more
