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DocumentationIdentifier: MM312064
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312064 |
| SMILES |
C#CC(F)(C#CC#N)CO
|
| InChIKey |
RSTBIIOLUGAIEQ-UHFFFAOYSA-N
|
| MW [Da] |
137.11
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139035
Similarity: 0.7913
Similarity to MM139035
| Tanimoto metric | 0.7913 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8835 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42522
Similarity: 0.7652
Similarity to MM42522
| Tanimoto metric | 0.7652 |
|---|---|
| Cosine metric | 0.8748 |
| Dice metric | 0.867 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243514
Similarity: 0.7273
Similarity to MM243514
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8421 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+79 more
