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DocumentationIdentifier: MM84872
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84872 |
| SMILES |
CC(CO)C(=O)CCC#N
|
| InChIKey |
CGOBKUCPEDDHSF-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM293244
Similarity: 0.678
Similarity to MM293244
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8082 |
| Dice metric | 0.8081 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84839
Similarity: 0.6667
Similarity to MM84839
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8 |
| Dice metric | 0.8 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64900
Similarity: 0.641
Similarity to MM64900
| Tanimoto metric | 0.641 |
|---|---|
| Cosine metric | 0.7813 |
| Dice metric | 0.7813 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
