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DocumentationIdentifier: MM360891
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360891 |
| SMILES |
C=CCC=C(C)C(=C)C=O
|
| InChIKey |
NQCUVJVORRJORT-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
MM175578
Similarity: 0.8515
Similarity to MM175578
| Tanimoto metric | 0.8515 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9198 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360895
Similarity: 0.7748
Similarity to MM360895
| Tanimoto metric | 0.7748 |
|---|---|
| Cosine metric | 0.8734 |
| Dice metric | 0.8731 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM270526
Similarity: 0.7227
Similarity to MM270526
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.839 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+397 more
