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DocumentationIdentifier: MM58528
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58528 |
| SMILES |
CC(C)(O)C(C#N)CC#N
|
| InChIKey |
GPUCGXZCYYGEOX-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52185
Similarity: 0.7477
Similarity to MM52185
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8647 |
| Dice metric | 0.8557 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132032
Similarity: 0.7207
Similarity to MM132032
| Tanimoto metric | 0.7207 |
|---|---|
| Cosine metric | 0.849 |
| Dice metric | 0.8377 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220749
Similarity: 0.6825
Similarity to MM220749
| Tanimoto metric | 0.6825 |
|---|---|
| Cosine metric | 0.8122 |
| Dice metric | 0.8113 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+265 more
