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DocumentationIdentifier: MM300463
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300463 |
| SMILES |
CCC=CC(=O)NC(C)C
|
| InChIKey |
VZZKDJYOAQSXSR-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.48
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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MM304564
Similarity: 0.8462
Similarity to MM304564
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM298703
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| Tanimoto metric | 0.8242 |
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| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM302474
Similarity: 0.7723
Similarity to MM302474
| Tanimoto metric | 0.7723 |
|---|---|
| Cosine metric | 0.8716 |
| Dice metric | 0.8715 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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