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DocumentationIdentifier: MM400729
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400729 |
| SMILES |
C#CC(CF)C(C=O)CC
|
| InChIKey |
KYBSCJCDDVFPPT-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376929
Similarity: 0.7563
Similarity to MM376929
| Tanimoto metric | 0.7563 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.8612 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197056
Similarity: 0.7321
Similarity to MM197056
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8454 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388318
Similarity: 0.6879
Similarity to MM388318
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8151 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
