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DocumentationIdentifier: MM93287
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93287 |
| SMILES |
C#CC(=O)CC(C)CNC
|
| InChIKey |
SGMWTTCKMMRVOD-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.43
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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MM91589
Similarity: 0.6916
Similarity to MM91589
| Tanimoto metric | 0.6916 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8177 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM223133
Similarity: 0.626
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| Tanimoto metric | 0.626 |
|---|---|
| Cosine metric | 0.7719 |
| Dice metric | 0.77 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM279573
Similarity: 0.592
Similarity to MM279573
| Tanimoto metric | 0.592 |
|---|---|
| Cosine metric | 0.7458 |
| Dice metric | 0.7437 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+251 more
