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DocumentationIdentifier: MM360689
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360689 |
| SMILES |
CC(=CCC=O)C(=O)CO
|
| InChIKey |
DMKJZWJLMMIBSH-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175448
Similarity: 0.885
Similarity to MM175448
| Tanimoto metric | 0.885 |
|---|---|
| Cosine metric | 0.9407 |
| Dice metric | 0.939 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90764
Similarity: 0.8197
Similarity to MM90764
| Tanimoto metric | 0.8197 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.9009 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354579
Similarity: 0.7407
Similarity to MM354579
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8517 |
| Dice metric | 0.8511 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+495 more
