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DocumentationIdentifier: MM291276
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291276 |
| SMILES |
C=CCNCC(F)CNC
|
| InChIKey |
PJGGFUIHEUAGQG-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
0.32
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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MM165773
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Similarity to MM165773
| Tanimoto metric | 0.9178 |
|---|---|
| Cosine metric | 0.958 |
| Dice metric | 0.9571 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM366291
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Similarity to MM366291
| Tanimoto metric | 0.7791 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8758 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM60095
Similarity: 0.7671
Similarity to MM60095
| Tanimoto metric | 0.7671 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8682 |
| MW: | 134.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+500 more
