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DocumentationIdentifier: MM417297
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM417297 |
| SMILES |
N#CC(O)CCC(=O)O
|
| InChIKey |
NWBARPPCVKRWDS-UHFFFAOYSA-N
|
| MW [Da] |
129.12
Automatically obtained from RDkit software. |
| LogP |
-0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81545
Similarity: 0.7281
Similarity to MM81545
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8426 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM436569
Similarity: 0.6917
Similarity to MM436569
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.8317 |
| Dice metric | 0.8177 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28773
Similarity: 0.6747
Similarity to MM28773
| Tanimoto metric | 0.6747 |
|---|---|
| Cosine metric | 0.8214 |
| Dice metric | 0.8058 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 7
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
