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DocumentationIdentifier: MM37147
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37147 |
| SMILES |
CC(C)(O)C(N)C#CCF
|
| InChIKey |
SLMYRKJMAQOZNA-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163477
Similarity: 0.7578
Similarity to MM163477
| Tanimoto metric | 0.7578 |
|---|---|
| Cosine metric | 0.8705 |
| Dice metric | 0.8622 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231668
Similarity: 0.7273
Similarity to MM231668
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8421 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM231736
Similarity: 0.7095
Similarity to MM231736
| Tanimoto metric | 0.7095 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.83 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+280 more
