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DocumentationIdentifier: MM111542
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111542 |
| SMILES |
CC(CO)C(O)C#N
|
| InChIKey |
AGEVVSVQYBLTJQ-UHFFFAOYSA-N
|
| MW [Da] |
115.13
Automatically obtained from RDkit software. |
| LogP |
-0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41492
Similarity: 0.7531
Similarity to MM41492
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8592 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53241
Similarity: 0.7176
Similarity to MM53241
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8471 |
| Dice metric | 0.8356 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50002
Similarity: 0.7093
Similarity to MM50002
| Tanimoto metric | 0.7093 |
|---|---|
| Cosine metric | 0.8422 |
| Dice metric | 0.8299 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+379 more
