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DocumentationIdentifier: MM63858
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63858 |
| SMILES |
CC(=O)CCCC(O)C#N
|
| InChIKey |
CJOVTZBHDNEJPR-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
MM48518
Similarity: 0.7882
Similarity to MM48518
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8816 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363841
Similarity: 0.7753
Similarity to MM363841
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8734 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62824
Similarity: 0.6731
Similarity to MM62824
| Tanimoto metric | 0.6731 |
|---|---|
| Cosine metric | 0.8048 |
| Dice metric | 0.8046 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
