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DocumentationIdentifier: MM281630
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281630 |
| SMILES |
C=CCC(F)C=COC=O
|
| InChIKey |
BADCPJJZQYUYRF-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
1.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169540
Similarity: 0.8556
Similarity to MM169540
| Tanimoto metric | 0.8556 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83572
Similarity: 0.713
Similarity to MM83572
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8324 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106256
Similarity: 0.6556
Similarity to MM106256
| Tanimoto metric | 0.6556 |
|---|---|
| Cosine metric | 0.8097 |
| Dice metric | 0.7919 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+364 more
