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DocumentationIdentifier: MM379456
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379456 |
| SMILES |
C=C(CC)C(C=CF)CN
|
| InChIKey |
YTJGAQCJCCURQN-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.01
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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MM180145
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| Tanimoto metric | 0.7459 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8545 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM401049
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| Tanimoto metric | 0.7413 |
|---|---|
| Cosine metric | 0.8516 |
| Dice metric | 0.8514 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM294583
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Similarity to MM294583
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8282 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+300 more
