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DocumentationIdentifier: MM59012
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59012 |
| SMILES |
CCOCC(C)(O)CC#N
|
| InChIKey |
PYDJDTSNOJJFNK-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40368
Similarity: 0.8182
Similarity to MM40368
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138156
Similarity: 0.7182
Similarity to MM138156
| Tanimoto metric | 0.7182 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.836 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59034
Similarity: 0.7023
Similarity to MM59034
| Tanimoto metric | 0.7023 |
|---|---|
| Cosine metric | 0.8252 |
| Dice metric | 0.8251 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+268 more
