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DocumentationIdentifier: MM131394
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131394 |
| SMILES |
C#CC(OC)C(C)(F)F
|
| InChIKey |
VVYYMEWLBADJNX-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM232114
Similarity: 0.7785
Similarity to MM232114
| Tanimoto metric | 0.7785 |
|---|---|
| Cosine metric | 0.8823 |
| Dice metric | 0.8755 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239063
Similarity: 0.7484
Similarity to MM239063
| Tanimoto metric | 0.7484 |
|---|---|
| Cosine metric | 0.8651 |
| Dice metric | 0.8561 |
| MW: | 144.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38615
Similarity: 0.7241
Similarity to MM38615
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+587 more
