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DocumentationIdentifier: MM384105
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM384105 |
| SMILES |
CCC=CC(C=O)=CC=O
|
| InChIKey |
FSAJAKJPBDESIW-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.28
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: 0.8046
Similarity to MM201039
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.897 |
| Dice metric | 0.8917 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429865
Similarity: 0.7742
Similarity to MM429865
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.874 |
| Dice metric | 0.8727 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384154
Similarity: 0.7553
Similarity to MM384154
| Tanimoto metric | 0.7553 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8606 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
