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DocumentationIdentifier: MM297016
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297016 |
| SMILES |
CC(=O)C(O)C(O)CC#N
|
| InChIKey |
YEUQTBSTRGWVCD-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172166
Similarity: 0.7236
Similarity to MM172166
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8506 |
| Dice metric | 0.8396 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253906
Similarity: 0.6715
Similarity to MM253906
| Tanimoto metric | 0.6715 |
|---|---|
| Cosine metric | 0.8057 |
| Dice metric | 0.8035 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296836
Similarity: 0.6525
Similarity to MM296836
| Tanimoto metric | 0.6525 |
|---|---|
| Cosine metric | 0.7909 |
| Dice metric | 0.7897 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
