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DocumentationIdentifier: MM156660
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156660 |
| SMILES |
C#CCC(=O)CNC=O
|
| InChIKey |
OGHMNFXUGAHULV-UHFFFAOYSA-N
|
| MW [Da] |
125.13
Automatically obtained from RDkit software. |
| LogP |
-0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113158
Similarity: 0.7317
Similarity to MM113158
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8451 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351594
Similarity: 0.7257
Similarity to MM351594
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.841 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156234
Similarity: 0.6122
Similarity to MM156234
| Tanimoto metric | 0.6122 |
|---|---|
| Cosine metric | 0.76 |
| Dice metric | 0.7595 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
