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DocumentationIdentifier: MM366106
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM366106 |
| SMILES |
CCC=CC=CC(=O)CC
|
| InChIKey |
QXBIQFBTZVWQNR-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170191
Similarity: 0.9706
Similarity to MM170191
| Tanimoto metric | 0.9706 |
|---|---|
| Cosine metric | 0.9852 |
| Dice metric | 0.9851 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM366214
Similarity: 0.8684
Similarity to MM366214
| Tanimoto metric | 0.8684 |
|---|---|
| Cosine metric | 0.9304 |
| Dice metric | 0.9296 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282163
Similarity: 0.8571
Similarity to MM282163
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9231 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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