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DocumentationIdentifier: MM78095
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78095 |
| SMILES |
C#CC(C#N)(CF)CCO
|
| InChIKey |
DOQWNLMHHYFBRJ-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
MM76736
Similarity: 0.6566
Similarity to MM76736
| 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
|
MM42203
Similarity: 0.6308
Similarity to MM42203
| Tanimoto metric | 0.6308 |
|---|---|
| Cosine metric | 0.7942 |
| Dice metric | 0.7736 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139589
Similarity: 0.6308
Similarity to MM139589
| Tanimoto metric | 0.6308 |
|---|---|
| Cosine metric | 0.7942 |
| Dice metric | 0.7736 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+139 more
