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DocumentationIdentifier: MM387296
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387296 |
| SMILES |
O=CCCC(C=O)NC=O
|
| InChIKey |
NJLWSUUWQFRAIC-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51277
Similarity: 0.8723
Similarity to MM51277
| Tanimoto metric | 0.8723 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9318 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272120
Similarity: 0.7193
Similarity to MM272120
| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.8367 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66885
Similarity: 0.6667
Similarity to MM66885
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8028 |
| Dice metric | 0.8 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+81 more
