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DocumentationIdentifier: MM139336
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139336 |
| SMILES |
CC(C=O)(CF)CCO
|
| InChIKey |
NPGSERPEBKZBNK-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM308444
Similarity: 0.81
Similarity to MM308444
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.895 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37525
Similarity: 0.7407
Similarity to MM37525
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8511 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM58236
Similarity: 0.6807
Similarity to MM58236
| Tanimoto metric | 0.6807 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.81 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+451 more
