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DocumentationIdentifier: MM76736
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76736 |
| SMILES |
C#CC(C)(C#N)C(F)CO
|
| InChIKey |
YJHRBXBPWODPJK-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53323
Similarity: 0.7448
Similarity to MM53323
| Tanimoto metric | 0.7448 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8538 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139950
Similarity: 0.7034
Similarity to MM139950
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8387 |
| Dice metric | 0.8259 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78095
Similarity: 0.6566
Similarity to MM78095
| Tanimoto metric | 0.6566 |
|---|---|
| Cosine metric | 0.7939 |
| Dice metric | 0.7927 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+125 more
