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DocumentationIdentifier: MM141656
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM141656 |
| SMILES |
N#CC(F)CC(O)CF
|
| InChIKey |
FKAAFPAWZHHXEN-UHFFFAOYSA-N
|
| MW [Da] |
135.11
Automatically obtained from RDkit software. |
| LogP |
0.57
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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MM32891
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| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8537 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6763 |
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| Cosine metric | 0.8223 |
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| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM28868
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Similarity to MM28868
| Tanimoto metric | 0.6596 |
|---|---|
| Cosine metric | 0.8121 |
| Dice metric | 0.7949 |
| MW: | 124.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+331 more
