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DocumentationIdentifier: MM229872
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229872 |
| SMILES |
C#CC(F)(C#C)C(C)(F)F
|
| InChIKey |
DLUFROQMZDMXGP-UHFFFAOYSA-N
|
| MW [Da] |
146.11
Automatically obtained from RDkit software. |
| LogP |
1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139966
Similarity: 0.6378
Similarity to MM139966
| Tanimoto metric | 0.6378 |
|---|---|
| Cosine metric | 0.7986 |
| Dice metric | 0.7788 |
| MW: | 132.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228875
Similarity: 0.6089
Similarity to MM228875
| Tanimoto metric | 0.6089 |
|---|---|
| Cosine metric | 0.7623 |
| Dice metric | 0.7569 |
| MW: | 152.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM229860
Similarity: 0.5707
Similarity to MM229860
| Tanimoto metric | 0.5707 |
|---|---|
| Cosine metric | 0.7354 |
| Dice metric | 0.7267 |
| MW: | 150.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+50 more
