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DocumentationIdentifier: MM26053
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26053 |
| SMILES |
NC(=O)C#CC=O
|
| InChIKey |
YWEFJJXHKOOKRJ-UHFFFAOYSA-N
|
| MW [Da] |
97.07
Automatically obtained from RDkit software. |
| LogP |
-1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103612
Similarity: 0.8837
Similarity to MM103612
| Tanimoto metric | 0.8837 |
|---|---|
| Cosine metric | 0.9401 |
| Dice metric | 0.9383 |
| MW: | 112.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24177
Similarity: 0.8421
Similarity to MM24177
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 83.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26059
Similarity: 0.6809
Similarity to MM26059
| Tanimoto metric | 0.6809 |
|---|---|
| Cosine metric | 0.8107 |
| Dice metric | 0.8101 |
| MW: | 93.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
