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DocumentationIdentifier: MM364398
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364398 |
| SMILES |
C=C(CF)CCCCCN
|
| InChIKey |
CLGHFIKEABNKQL-UHFFFAOYSA-N
|
| MW [Da] |
145.22
Automatically obtained from RDkit software. |
| LogP |
2.03
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 | 0.8028 |
|---|---|
| Cosine metric | 0.896 |
| Dice metric | 0.8906 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 3.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.64 |
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MM72704
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| Tanimoto metric | 0.7229 |
|---|---|
| Cosine metric | 0.8392 |
| Dice metric | 0.8392 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+543 more
