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DocumentationIdentifier: MM252357
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252357 |
| SMILES |
C=CCC(=O)C=CC(=C)C
|
| InChIKey |
LJYUTJDQTHWIKV-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
MM145778
Similarity: 0.875
Similarity to MM145778
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252332
Similarity: 0.79
Similarity to MM252332
| Tanimoto metric | 0.79 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.8827 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM322321
Similarity: 0.7822
Similarity to MM322321
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8778 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+527 more
