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DocumentationIdentifier: MM224664
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224664 |
| SMILES |
CCC(F)CCC(F)(F)F
|
| InChIKey |
SHLYNOFHOJHLAM-UHFFFAOYSA-N
|
| MW [Da] |
158.14
Automatically obtained from RDkit software. |
| LogP |
3.08
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 | 0.8308 |
|---|---|
| Cosine metric | 0.9115 |
| Dice metric | 0.9076 |
| MW: | 144.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM144027
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| Tanimoto metric | 0.8154 |
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| Cosine metric | 0.903 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.78 |
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|---|---|---|---|---|---|
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MM250483
Similarity: 0.726
Similarity to MM250483
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.8417 |
| Dice metric | 0.8413 |
| MW: | 158.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+434 more
