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DocumentationIdentifier: MM280125
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280125 |
| SMILES |
C#CC(F)C=C(C)C(N)=O
|
| InChIKey |
XDALRHZNMJFWNC-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.39
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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MM288584
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| Tanimoto metric | 0.6512 |
|---|---|
| Cosine metric | 0.7889 |
| Dice metric | 0.7887 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8052 |
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| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM298375
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Similarity to MM298375
| Tanimoto metric | 0.6437 |
|---|---|
| Cosine metric | 0.7833 |
| Dice metric | 0.7832 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+220 more
