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DocumentationIdentifier: MM24177
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM24177 |
| SMILES |
CC#CC(N)=O
|
| InChIKey |
STSBIYSZXHSXHH-UHFFFAOYSA-N
|
| MW [Da] |
83.09
Automatically obtained from RDkit software. |
| LogP |
-0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM26053
Similarity: 0.8421
Similarity to MM26053
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 97.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26059
Similarity: 0.7805
Similarity to MM26059
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8767 |
| MW: | 93.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23664
Similarity: 0.75
Similarity to MM23664
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 69.06 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+212 more
