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DocumentationIdentifier: MM158833
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158833 |
| SMILES |
N=CNCC(F)=CCF
|
| InChIKey |
HAVJXLBTZAQNPM-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
1.01
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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MM113869
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| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7615 |
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| Cosine metric | 0.8726 |
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| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM251879
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| Tanimoto metric | 0.7477 |
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| Cosine metric | 0.8647 |
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| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
