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DocumentationIdentifier: MM83787
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83787 |
| SMILES |
O=CC=CC(=O)NCC=O
|
| InChIKey |
MREDJJJHEZTYSC-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM290866
Similarity: 0.75
Similarity to MM290866
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8571 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83788
Similarity: 0.7212
Similarity to MM83788
| Tanimoto metric | 0.7212 |
|---|---|
| Cosine metric | 0.8396 |
| Dice metric | 0.838 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301483
Similarity: 0.7024
Similarity to MM301483
| Tanimoto metric | 0.7024 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.8252 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+285 more
