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DocumentationIdentifier: MM160249
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160249 |
| SMILES |
CC(=O)C(O)C(O)C#N
|
| InChIKey |
ISKGNQIXNWTMBX-UHFFFAOYSA-N
|
| MW [Da] |
129.12
Automatically obtained from RDkit software. |
| LogP |
-1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM82400
Similarity: 0.707
Similarity to MM82400
| Tanimoto metric | 0.707 |
|---|---|
| Cosine metric | 0.8408 |
| Dice metric | 0.8284 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349480
Similarity: 0.7025
Similarity to MM349480
| Tanimoto metric | 0.7025 |
|---|---|
| Cosine metric | 0.8382 |
| Dice metric | 0.8253 |
| MW: | 147.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM388567
Similarity: 0.6894
Similarity to MM388567
| Tanimoto metric | 0.6894 |
|---|---|
| Cosine metric | 0.8303 |
| Dice metric | 0.8162 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+196 more
