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DocumentationIdentifier: MM198512
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198512 |
| SMILES |
CCC(CF)CCNC
|
| InChIKey |
WWSAOPBMRWEKIS-UHFFFAOYSA-N
|
| MW [Da] |
133.21
Automatically obtained from RDkit software. |
| LogP |
1.59
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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MM339863
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Similarity to MM339863
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9041 |
| MW: | 147.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM385748
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| Tanimoto metric | 0.7952 |
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| Cosine metric | 0.8917 |
| Dice metric | 0.8859 |
| MW: | 151.2 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM392223
Similarity: 0.7857
Similarity to MM392223
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 147.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+598 more
