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DocumentationIdentifier: MM418135
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM418135 |
| SMILES |
CCC(=CF)CC=COC
|
| InChIKey |
RRVYMXVYCPEURW-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168926
Similarity: 0.8046
Similarity to MM168926
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.897 |
| Dice metric | 0.8917 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375350
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| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8434 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM280297
Similarity: 0.6667
Similarity to MM280297
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8061 |
| Dice metric | 0.8 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+273 more
