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DocumentationIdentifier: MM456820
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456820 |
| SMILES |
CCC=CC=COCCF
|
| InChIKey |
YUMVZPSCIDAQGB-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215143
Similarity: 0.8382
Similarity to MM215143
| Tanimoto metric | 0.8382 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.912 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215502
Similarity: 0.7941
Similarity to MM215502
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM454875
Similarity: 0.7013
Similarity to MM454875
| Tanimoto metric | 0.7013 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.8244 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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