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DocumentationIdentifier: MM97284
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97284 |
| SMILES |
C#CC(C)(F)CF
|
| InChIKey |
IOZQTECXODHQKH-UHFFFAOYSA-N
|
| MW [Da] |
104.1
Automatically obtained from RDkit software. |
| LogP |
1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111448
Similarity: 0.7931
Similarity to MM111448
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 114.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM103220
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Similarity to MM103220
| Tanimoto metric | 0.7188 |
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| Cosine metric | 0.8478 |
| Dice metric | 0.8364 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM24547
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Similarity to MM24547
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.7895 |
| MW: | 90.07 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+486 more
