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DocumentationIdentifier: MM240840
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240840 |
| SMILES |
C#CC#CCC(F)(F)C=O
|
| InChIKey |
URWURKMQWIEFOW-UHFFFAOYSA-N
|
| MW [Da] |
142.1
Automatically obtained from RDkit software. |
| LogP |
0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138695
Similarity: 0.8416
Similarity to MM138695
| Tanimoto metric | 0.8416 |
|---|---|
| Cosine metric | 0.9174 |
| Dice metric | 0.914 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240830
Similarity: 0.7456
Similarity to MM240830
| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8543 |
| MW: | 146.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240803
Similarity: 0.7391
Similarity to MM240803
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.85 |
| Dice metric | 0.85 |
| MW: | 150.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+123 more
