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DocumentationIdentifier: MM386300
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386300 |
| SMILES |
C=CCC=C(C=O)CC=C
|
| InChIKey |
UOSPCGIEPCFHRK-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
MM201740
Similarity: 0.8415
Similarity to MM201740
| Tanimoto metric | 0.8415 |
|---|---|
| Cosine metric | 0.9173 |
| Dice metric | 0.9139 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM386304
Similarity: 0.7895
Similarity to MM386304
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8829 |
| Dice metric | 0.8824 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM404675
Similarity: 0.7667
Similarity to MM404675
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8684 |
| Dice metric | 0.8679 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+427 more
