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DocumentationIdentifier: MM331953
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM331953 |
| SMILES |
CN=C(CC(C)C=O)NC
|
| InChIKey |
JLWBCFMFXNVKHV-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.46
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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MM150242
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| Tanimoto metric | 0.719 |
|---|---|
| Cosine metric | 0.8479 |
| Dice metric | 0.8365 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM414701
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| Tanimoto metric | 0.6623 |
|---|---|
| Cosine metric | 0.7981 |
| Dice metric | 0.7969 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262685
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Similarity to MM262685
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.7883 |
| Dice metric | 0.7857 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+399 more
