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DocumentationIdentifier: MM62824
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62824 |
| SMILES |
CC(=O)CCC(O)CC#N
|
| InChIKey |
UGTRREZKHXNQCP-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291505
Similarity: 0.7263
Similarity to MM291505
| Tanimoto metric | 0.7263 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8415 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250613
Similarity: 0.7097
Similarity to MM250613
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.8302 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43730
Similarity: 0.68
Similarity to MM43730
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.811 |
| Dice metric | 0.8095 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+365 more
