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DocumentationIdentifier: MM406856
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406856 |
| SMILES |
CC(OC=O)C(C#N)CO
|
| InChIKey |
GEFWAAJHPULTDG-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171982
Similarity: 0.6723
Similarity to MM171982
| Tanimoto metric | 0.6723 |
|---|---|
| Cosine metric | 0.8199 |
| Dice metric | 0.804 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94229
Similarity: 0.6027
Similarity to MM94229
| Tanimoto metric | 0.6027 |
|---|---|
| Cosine metric | 0.7522 |
| Dice metric | 0.7521 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198963
Similarity: 0.5798
Similarity to MM198963
| Tanimoto metric | 0.5798 |
|---|---|
| Cosine metric | 0.7615 |
| Dice metric | 0.734 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+61 more
