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DocumentationIdentifier: MM158832
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158832 |
| SMILES |
CCC=C(F)CNC=N
|
| InChIKey |
QMKUJWKZZQYEAS-UHFFFAOYSA-N
|
| MW [Da] |
130.17
Automatically obtained from RDkit software. |
| LogP |
1.45
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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MM238369
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| Tanimoto metric | 0.8416 |
|---|---|
| Cosine metric | 0.9174 |
| Dice metric | 0.914 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8095 |
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| Cosine metric | 0.8997 |
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| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM265616
Similarity: 0.7727
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| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
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| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+241 more
