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DocumentationIdentifier: MM307248
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307248 |
| SMILES |
CC(=O)C(C=CF)C(C)C
|
| InChIKey |
GAGMVVWATZKPBL-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM181028
Similarity: 0.7321
Similarity to MM181028
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8454 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52340
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| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8238 |
| Dice metric | 0.8085 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM379241
Similarity: 0.6719
Similarity to MM379241
| Tanimoto metric | 0.6719 |
|---|---|
| Cosine metric | 0.8046 |
| Dice metric | 0.8037 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+386 more
