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DocumentationIdentifier: MM162592
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162592 |
| SMILES |
C=C(C)C(=C)CCCF
|
| InChIKey |
GXABWRSKVHRQEG-UHFFFAOYSA-N
|
| MW [Da] |
128.19
Automatically obtained from RDkit software. |
| LogP |
2.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM352223
Similarity: 0.8214
Similarity to MM352223
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255139
Similarity: 0.7931
Similarity to MM255139
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM302580
Similarity: 0.7875
Similarity to MM302580
| Tanimoto metric | 0.7875 |
|---|---|
| Cosine metric | 0.8817 |
| Dice metric | 0.8811 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+452 more
