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DocumentationIdentifier: MM166570
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166570 |
| SMILES |
C=CCCCC(=C)CF
|
| InChIKey |
FBBIMRHTWUNRFY-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 |
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MM112993
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Similarity to MM112993
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 116.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8095 |
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| Cosine metric | 0.8947 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.09 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM319354
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| Tanimoto metric | 0.7125 |
|---|---|
| Cosine metric | 0.8441 |
| Dice metric | 0.8321 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+660 more
