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DocumentationIdentifier: MM270109
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM270109 |
| SMILES |
C#CC(=O)N(C)C=C(C)F
|
| InChIKey |
LPWBRDFNWCRWFU-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM134129
Similarity: 0.75
Similarity to MM134129
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50785
Similarity: 0.6959
Similarity to MM50785
| Tanimoto metric | 0.6959 |
|---|---|
| Cosine metric | 0.8342 |
| Dice metric | 0.8207 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274076
Similarity: 0.6852
Similarity to MM274076
| Tanimoto metric | 0.6852 |
|---|---|
| Cosine metric | 0.8161 |
| Dice metric | 0.8132 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+105 more
