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DocumentationIdentifier: MM280730
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280730 |
| SMILES |
C=CC=CCC(=O)C=CC
|
| InChIKey |
WGNNIRHHHXFMPY-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
MM358120
Similarity: 0.8933
Similarity to MM358120
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9437 |
| Dice metric | 0.9437 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168813
Similarity: 0.8873
Similarity to MM168813
| Tanimoto metric | 0.8873 |
|---|---|
| Cosine metric | 0.942 |
| Dice metric | 0.9403 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374925
Similarity: 0.8442
Similarity to MM374925
| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9155 |
| Dice metric | 0.9155 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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