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DocumentationIdentifier: MM179755
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179755 |
| SMILES |
CC(O)C(C#N)OC=O
|
| InChIKey |
NJBADQNELLFBFV-UHFFFAOYSA-N
|
| MW [Da] |
129.12
Automatically obtained from RDkit software. |
| LogP |
-0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM376558
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Similarity to MM376558
| Tanimoto metric | 0.7481 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8559 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM94284
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| Tanimoto metric | 0.7206 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8376 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM376840
Similarity: 0.7
Similarity to MM376840
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+135 more
