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DocumentationIdentifier: MM228133
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228133 |
| SMILES |
CC(O)(C#N)CCC(N)=O
|
| InChIKey |
OQPGNUBQHGQOKU-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144421
Similarity: 0.7087
Similarity to MM144421
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8418 |
| Dice metric | 0.8295 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130395
Similarity: 0.6772
Similarity to MM130395
| Tanimoto metric | 0.6772 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8075 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43725
Similarity: 0.5906
Similarity to MM43725
| Tanimoto metric | 0.5906 |
|---|---|
| Cosine metric | 0.7685 |
| Dice metric | 0.7426 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+56 more
