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DocumentationIdentifier: MM429852
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM429852 |
| SMILES |
C=CCC=CC(C=O)=CC
|
| InChIKey |
MAQDMSHVVPAGHV-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201039
Similarity: 0.8537
Similarity to MM201039
| Tanimoto metric | 0.8537 |
|---|---|
| Cosine metric | 0.9239 |
| Dice metric | 0.9211 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429865
Similarity: 0.7778
Similarity to MM429865
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.875 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365211
Similarity: 0.7738
Similarity to MM365211
| Tanimoto metric | 0.7738 |
|---|---|
| Cosine metric | 0.8769 |
| Dice metric | 0.8725 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+485 more
