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DocumentationIdentifier: MM238078
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238078 |
| SMILES |
CNCCC(C)C=C(F)F
|
| InChIKey |
YEPXUIJAXFLSTE-UHFFFAOYSA-N
|
| MW [Da] |
149.18
Automatically obtained from RDkit software. |
| LogP |
2.01
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 | 0.8193 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9007 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9051 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
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|---|---|---|---|---|---|
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MM269955
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| Tanimoto metric | 0.6832 |
|---|---|
| Cosine metric | 0.812 |
| Dice metric | 0.8118 |
| MW: | 149.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+546 more
