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DocumentationIdentifier: MM165923
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165923 |
| SMILES |
C=CC(F)CCCCC
|
| InChIKey |
JDAOXJSNUDEPNU-UHFFFAOYSA-N
|
| MW [Da] |
130.21
Automatically obtained from RDkit software. |
| LogP |
3.09
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 | 0.9344 |
|---|---|
| Cosine metric | 0.9667 |
| Dice metric | 0.9661 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.7 |
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Total active interactions
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MM166068
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| Tanimoto metric | 0.7937 |
|---|---|
| Cosine metric | 0.885 |
| Dice metric | 0.885 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+591 more
