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DocumentationIdentifier: MM378666
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378666 |
| SMILES |
C=CCC(C=C)C(=O)C=C
|
| InChIKey |
CXTIEDBQJRMQCG-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180001
Similarity: 0.82
Similarity to MM180001
| Tanimoto metric | 0.82 |
|---|---|
| Cosine metric | 0.9055 |
| Dice metric | 0.9011 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172759
Similarity: 0.75
Similarity to MM172759
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378668
Similarity: 0.7097
Similarity to MM378668
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8302 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+393 more
