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DocumentationIdentifier: MM247170
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM247170 |
| SMILES |
CC(=CF)CC(=O)C(C)C
|
| InChIKey |
XWTIFWCPZYMLPF-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143066
Similarity: 0.789
Similarity to MM143066
| Tanimoto metric | 0.789 |
|---|---|
| Cosine metric | 0.8883 |
| Dice metric | 0.8821 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133876
Similarity: 0.7156
Similarity to MM133876
| Tanimoto metric | 0.7156 |
|---|---|
| Cosine metric | 0.8459 |
| Dice metric | 0.8342 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM333067
Similarity: 0.6797
Similarity to MM333067
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8094 |
| Dice metric | 0.8093 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+418 more
