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DocumentationIdentifier: MM61010
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61010 |
| SMILES |
CC(CCO)C(C)(O)C#N
|
| InChIKey |
ZTEKMMDTXVQCJG-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137622
Similarity: 0.7845
Similarity to MM137622
| Tanimoto metric | 0.7845 |
|---|---|
| Cosine metric | 0.8857 |
| Dice metric | 0.8792 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76694
Similarity: 0.6894
Similarity to MM76694
| Tanimoto metric | 0.6894 |
|---|---|
| Cosine metric | 0.8168 |
| Dice metric | 0.8161 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225501
Similarity: 0.6765
Similarity to MM225501
| Tanimoto metric | 0.6765 |
|---|---|
| Cosine metric | 0.8071 |
| Dice metric | 0.807 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+296 more
