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DocumentationIdentifier: MM225992
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225992 |
| SMILES |
CCC(C)(O)CC(F)CO
|
| InChIKey |
ZUJSIBYRSDHJRR-UHFFFAOYSA-N
|
| MW [Da] |
150.19
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130601
Similarity: 0.7377
Similarity to MM130601
| Tanimoto metric | 0.7377 |
|---|---|
| Cosine metric | 0.8589 |
| Dice metric | 0.8491 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM129978
Similarity: 0.7213
Similarity to MM129978
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8381 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM228940
Similarity: 0.6923
Similarity to MM228940
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8231 |
| Dice metric | 0.8182 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+463 more
