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DocumentationIdentifier: MM265798
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM265798 |
| SMILES |
CCC=C(C)CC(=O)CF
|
| InChIKey |
BHWYGCLNACGKSG-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.27
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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MM143067
Similarity: 0.8762
Similarity to MM143067
| Tanimoto metric | 0.8762 |
|---|---|
| Cosine metric | 0.9361 |
| Dice metric | 0.934 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM265948
Similarity: 0.8136
Similarity to MM265948
| Tanimoto metric | 0.8136 |
|---|---|
| Cosine metric | 0.8974 |
| Dice metric | 0.8972 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM248445
Similarity: 0.7899
Similarity to MM248445
| Tanimoto metric | 0.7899 |
|---|---|
| Cosine metric | 0.8827 |
| Dice metric | 0.8826 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+490 more
