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DocumentationIdentifier: MM98555
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM98555 |
| SMILES |
C#CC(C)NC(C=O)C=O
|
| InChIKey |
CCVKEKSWKBBSNR-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47248
Similarity: 0.7895
Similarity to MM47248
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34630
Similarity: 0.7841
Similarity to MM34630
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.879 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM416950
Similarity: 0.7841
Similarity to MM416950
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.879 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
