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DocumentationIdentifier: MM137785
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137785 |
| SMILES |
CCC(C)(F)C(=O)CO
|
| InChIKey |
HTJNAMQWSGELBZ-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40488
Similarity: 0.7385
Similarity to MM40488
| Tanimoto metric | 0.7385 |
|---|---|
| Cosine metric | 0.8499 |
| Dice metric | 0.8496 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233392
Similarity: 0.7342
Similarity to MM233392
| Tanimoto metric | 0.7342 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8467 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58816
Similarity: 0.7296
Similarity to MM58816
| Tanimoto metric | 0.7296 |
|---|---|
| Cosine metric | 0.8541 |
| Dice metric | 0.8436 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+299 more
