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DocumentationIdentifier: MM227964
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227964 |
| SMILES |
CCC(F)(F)CCC(=O)O
|
| InChIKey |
YHYRITFFTSJAIU-UHFFFAOYSA-N
|
| MW [Da] |
152.14
Automatically obtained from RDkit software. |
| LogP |
1.9
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 | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7407 |
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| Cosine metric | 0.8607 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.6 |
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| AI: | 0
Total active interactions
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Similarity to MM250626
| Tanimoto metric | 0.6585 |
|---|---|
| Cosine metric | 0.7955 |
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| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
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| AI: | 0
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+160 more
