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DocumentationIdentifier: MM418721
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM418721 |
| SMILES |
CC(C=O)N1C(C)C1(C)C
|
| InChIKey |
UDRLPFXDOQVVEX-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.06
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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MM360707
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| Tanimoto metric | 0.828 |
|---|---|
| Cosine metric | 0.91 |
| Dice metric | 0.9059 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM420759
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| Tanimoto metric | 0.7707 |
|---|---|
| Cosine metric | 0.8779 |
| Dice metric | 0.8705 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM314453
Similarity: 0.7394
Similarity to MM314453
| Tanimoto metric | 0.7394 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8502 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
