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DocumentationIdentifier: MM165929
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165929 |
| SMILES |
N#CC(F)CCCCF
|
| InChIKey |
MRYXCJBTKHNHIG-UHFFFAOYSA-N
|
| MW [Da] |
133.14
Automatically obtained from RDkit software. |
| LogP |
1.99
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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MM257638
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| Tanimoto metric | 0.9344 |
|---|---|
| Cosine metric | 0.9667 |
| Dice metric | 0.9661 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM112780
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| Tanimoto metric | 0.8772 |
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| Cosine metric | 0.9366 |
| Dice metric | 0.9346 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM165926
Similarity: 0.8525
Similarity to MM165926
| Tanimoto metric | 0.8525 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9204 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+324 more
