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DocumentationIdentifier: MM157054
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM157054 |
| SMILES |
C=CCC(F)CC#CC
|
| InChIKey |
JKYKIQNGPHDTMH-UHFFFAOYSA-N
|
| MW [Da] |
126.17
Automatically obtained from RDkit software. |
| LogP |
2.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM281026
Similarity: 0.8571
Similarity to MM281026
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280996
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Similarity to MM280996
| Tanimoto metric | 0.8571 |
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| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 144.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM281053
Similarity: 0.8372
Similarity to MM281053
| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9114 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+828 more
