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DocumentationIdentifier: MM54523
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54523 |
| SMILES |
C#CC=C(CNC)OC=O
|
| InChIKey |
OXSSLJHIONSIFR-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM56309
Similarity: 0.7769
Similarity to MM56309
| Tanimoto metric | 0.7769 |
|---|---|
| Cosine metric | 0.8814 |
| Dice metric | 0.8744 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390123
Similarity: 0.6912
Similarity to MM390123
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8185 |
| Dice metric | 0.8174 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306578
Similarity: 0.6463
Similarity to MM306578
| Tanimoto metric | 0.6463 |
|---|---|
| Cosine metric | 0.7851 |
| Dice metric | 0.7851 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+65 more
