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DocumentationIdentifier: MM368439
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368439 |
| SMILES |
N#CC=CCCC(F)C#N
|
| InChIKey |
DRIAMRCDZBVEBV-UHFFFAOYSA-N
|
| MW [Da] |
138.15
Automatically obtained from RDkit software. |
| LogP |
1.71
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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MM167257
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| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM368179
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| Tanimoto metric | 0.8333 |
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| Cosine metric | 0.9098 |
| Dice metric | 0.9091 |
| MW: | 141.19 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM153145
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|---|---|
| Cosine metric | 0.8944 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+484 more
