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DocumentationIdentifier: MM333931
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM333931 |
| SMILES |
C=CC(=C)OC(=CC)CC
|
| InChIKey |
RIRHGKDNUZWQRW-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
3.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM334356
Similarity: 0.792
Similarity to MM334356
| Tanimoto metric | 0.792 |
|---|---|
| Cosine metric | 0.884 |
| Dice metric | 0.8839 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150468
Similarity: 0.7838
Similarity to MM150468
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8788 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM333622
Similarity: 0.7333
Similarity to MM333622
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8481 |
| Dice metric | 0.8462 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+594 more
