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DocumentationIdentifier: MM116275
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116275 |
| SMILES |
C=CC(C=CF)CC
|
| InChIKey |
PIROWDLUERHJGC-UHFFFAOYSA-N
|
| MW [Da] |
114.16
Automatically obtained from RDkit software. |
| LogP |
2.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180117
Similarity: 0.8
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| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM389131
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| Tanimoto metric | 0.7742 |
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| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM178208
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Similarity to MM178208
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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