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DocumentationIdentifier: MM268876
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268876 |
| SMILES |
CC(N)=NC(C)C(=O)CO
|
| InChIKey |
BQTCYETYOQWDKJ-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.69
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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MM133737
Similarity: 0.74
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| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8506 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM275341
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| Tanimoto metric | 0.6416 |
|---|---|
| Cosine metric | 0.7829 |
| Dice metric | 0.7817 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM378294
Similarity: 0.5978
Similarity to MM378294
| Tanimoto metric | 0.5978 |
|---|---|
| Cosine metric | 0.7491 |
| Dice metric | 0.7483 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
