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DocumentationIdentifier: MM23668
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM23668 |
| SMILES |
CC(C)=CF
|
| InChIKey |
GRLHOORFDPGKMC-UHFFFAOYSA-N
|
| MW [Da] |
74.1
Automatically obtained from RDkit software. |
| LogP |
1.88
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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MM24341
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| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 92.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM23546
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| Tanimoto metric | 0.6667 |
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| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 60.07 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.49 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM24877
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Similarity to MM24877
| Tanimoto metric | 0.6429 |
|---|---|
| Cosine metric | 0.8018 |
| Dice metric | 0.7826 |
| MW: | 86.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+123 more
