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DocumentationIdentifier: MM267428
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM267428 |
| SMILES |
C=CC(C)C=C(F)CCC
|
| InChIKey |
CCLGTEMQZLHSRF-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
3.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.24 |
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|---|---|---|---|---|---|
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Total active interactions
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MM335430
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| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8629 |
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| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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