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DocumentationIdentifier: MM226387
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226387 |
| SMILES |
COC(C)CC(C)(C)C#N
|
| InChIKey |
YCVNXMLJMNDGGX-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
MM141684
Similarity: 0.798
Similarity to MM141684
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8933 |
| Dice metric | 0.8876 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130659
Similarity: 0.7374
Similarity to MM130659
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02871
Similarity: 0.7248
Similarity to MM02871
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8404 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+463 more
