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DocumentationIdentifier: MM44505
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44505 |
| SMILES |
C=CC(CF)NC(C)=O
|
| InChIKey |
SFRGHHQEMNDCOE-UHFFFAOYSA-N
|
| MW [Da] |
131.15
Automatically obtained from RDkit software. |
| LogP |
0.65
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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MM329349
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| Tanimoto metric | 0.8291 |
|---|---|
| Cosine metric | 0.9105 |
| Dice metric | 0.9065 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM276047
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| Tanimoto metric | 0.8151 |
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| Cosine metric | 0.9028 |
| Dice metric | 0.8981 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM272773
Similarity: 0.7886
Similarity to MM272773
| Tanimoto metric | 0.7886 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8818 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+318 more
