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DocumentationIdentifier: MM360520
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360520 |
| SMILES |
CC(=CC=CF)CCC=O
|
| InChIKey |
GPFQGFYPJUZOJN-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158947
Similarity: 0.8
Similarity to MM158947
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159667
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Similarity to MM159667
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM253703
Similarity: 0.6804
Similarity to MM253703
| Tanimoto metric | 0.6804 |
|---|---|
| Cosine metric | 0.8106 |
| Dice metric | 0.8098 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+785 more
