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DocumentationIdentifier: MM240803
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240803 |
| SMILES |
O=CC(F)(F)CC#CCF
|
| InChIKey |
ZSVYWVLXBYZAFW-UHFFFAOYSA-N
|
| MW [Da] |
150.1
Automatically obtained from RDkit software. |
| LogP |
1.18
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: 0.8586
Similarity to MM138695
| Tanimoto metric | 0.8586 |
|---|---|
| Cosine metric | 0.9266 |
| Dice metric | 0.9239 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240830
Similarity: 0.7589
Similarity to MM240830
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8629 |
| MW: | 146.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240840
Similarity: 0.7391
Similarity to MM240840
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.85 |
| Dice metric | 0.85 |
| MW: | 142.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+113 more
