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DocumentationIdentifier: MM228864
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228864 |
| SMILES |
COC(C)(C)C(C)(C)C#N
|
| InChIKey |
QEKSDZUTZLBBCG-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137639
Similarity: 0.7458
Similarity to MM137639
| Tanimoto metric | 0.7458 |
|---|---|
| Cosine metric | 0.8636 |
| Dice metric | 0.8544 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131022
Similarity: 0.6949
Similarity to MM131022
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.8336 |
| Dice metric | 0.82 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02868
Similarity: 0.6947
Similarity to MM02868
| Tanimoto metric | 0.6947 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8198 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
