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DocumentationIdentifier: MM15746
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15746 |
| SMILES |
N#CC=CC(C=O)OC=O
|
| InChIKey |
UOHGLUFTTPHECF-UHFFFAOYSA-N
|
| MW [Da] |
139.11
Automatically obtained from RDkit software. |
| LogP |
-0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157849
Similarity: 0.7027
Similarity to MM157849
| Tanimoto metric | 0.7027 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8254 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15745
Similarity: 0.5946
Similarity to MM15745
| Tanimoto metric | 0.5946 |
|---|---|
| Cosine metric | 0.7711 |
| Dice metric | 0.7458 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274056
Similarity: 0.5669
Similarity to MM274056
| Tanimoto metric | 0.5669 |
|---|---|
| Cosine metric | 0.727 |
| Dice metric | 0.7236 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+33 more
