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DocumentationIdentifier: MM53253
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53253 |
| SMILES |
COC(C=O)C(O)C#N
|
| InChIKey |
KORRZLXZLIAYJE-UHFFFAOYSA-N
|
| MW [Da] |
129.12
Automatically obtained from RDkit software. |
| LogP |
-0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM400717
Similarity: 0.8217
Similarity to MM400717
| Tanimoto metric | 0.8217 |
|---|---|
| Cosine metric | 0.9065 |
| Dice metric | 0.9021 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94190
Similarity: 0.791
Similarity to MM94190
| Tanimoto metric | 0.791 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8833 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197001
Similarity: 0.7815
Similarity to MM197001
| Tanimoto metric | 0.7815 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.8774 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+295 more
