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DocumentationIdentifier: MM152540
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM152540 |
| SMILES |
N#CCC(=O)CNCC=O
|
| InChIKey |
ZTMSZBDYDBGLOC-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149854
Similarity: 0.7573
Similarity to MM149854
| Tanimoto metric | 0.7573 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.8619 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28465
Similarity: 0.64
Similarity to MM28465
| Tanimoto metric | 0.64 |
|---|---|
| Cosine metric | 0.781 |
| Dice metric | 0.7805 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28425
Similarity: 0.4848
Similarity to MM28425
| Tanimoto metric | 0.4848 |
|---|---|
| Cosine metric | 0.6589 |
| Dice metric | 0.6531 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+16 more
