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DocumentationIdentifier: MM387269
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387269 |
| SMILES |
N#CCC(C=O)CCC=O
|
| InChIKey |
DERCJXKCTOXXOG-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177976
Similarity: 0.8533
Similarity to MM177976
| Tanimoto metric | 0.8533 |
|---|---|
| Cosine metric | 0.9238 |
| Dice metric | 0.9209 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272107
Similarity: 0.7765
Similarity to MM272107
| Tanimoto metric | 0.7765 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8742 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155928
Similarity: 0.7467
Similarity to MM155928
| Tanimoto metric | 0.7467 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.855 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+143 more
