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DocumentationIdentifier: MM373533
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM373533 |
| SMILES |
CCC(=O)CC=COC=O
|
| InChIKey |
PGMZCXOUVRUQIC-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM02444
Similarity: 0.825
Similarity to MM02444
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9041 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235852
Similarity: 0.66
Similarity to MM235852
| Tanimoto metric | 0.66 |
|---|---|
| Cosine metric | 0.7957 |
| Dice metric | 0.7952 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373535
Similarity: 0.6471
Similarity to MM373535
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.7866 |
| Dice metric | 0.7857 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
