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DocumentationIdentifier: MM416092
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM416092 |
| SMILES |
C=C(CNC)C(=CF)CC
|
| InChIKey |
XUEPYFIWIVYCNQ-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.03
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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MM174864
Similarity: 0.7778
Similarity to MM174864
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM381605
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| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.864 |
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| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM394645
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Similarity to MM394645
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8224 |
| Dice metric | 0.8216 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+217 more
