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DocumentationIdentifier: MM26183
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26183 |
| SMILES |
COC(C)CC#N
|
| InChIKey |
WOAZYIVRCPMLHX-UHFFFAOYSA-N
|
| MW [Da] |
99.13
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107230
Similarity: 0.7778
Similarity to MM107230
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37487
Similarity: 0.7778
Similarity to MM37487
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51236
Similarity: 0.7241
Similarity to MM51236
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+466 more
