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DocumentationIdentifier: MM104425
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104425 |
| SMILES |
C=C(CF)CC(C)O
|
| InChIKey |
YMTVRTNYLBWYJB-UHFFFAOYSA-N
|
| MW [Da] |
118.15
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141934
Similarity: 0.7753
Similarity to MM141934
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8734 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133816
Similarity: 0.75
Similarity to MM133816
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130129
Similarity: 0.734
Similarity to MM130129
| Tanimoto metric | 0.734 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8466 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+813 more
