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DocumentationIdentifier: MM378252
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378252 |
| SMILES |
C=CCC(C=O)C(=O)CO
|
| InChIKey |
QBNAHQRNKNTHEO-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350491
Similarity: 0.7413
Similarity to MM350491
| Tanimoto metric | 0.7413 |
|---|---|
| Cosine metric | 0.853 |
| Dice metric | 0.8514 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180002
Similarity: 0.641
Similarity to MM180002
| Tanimoto metric | 0.641 |
|---|---|
| Cosine metric | 0.8006 |
| Dice metric | 0.7813 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378254
Similarity: 0.6187
Similarity to MM378254
| Tanimoto metric | 0.6187 |
|---|---|
| Cosine metric | 0.7651 |
| Dice metric | 0.7644 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+86 more
