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DocumentationIdentifier: MM197116
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197116 |
| SMILES |
C=CC(C#N)N(C)C=O
|
| InChIKey |
SOQXVHROTWZXDU-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
0.15
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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MM23773
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Similarity to MM23773
| Tanimoto metric | 0.7638 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.8661 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320250
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| Tanimoto metric | 0.7239 |
|---|---|
| Cosine metric | 0.8508 |
| Dice metric | 0.8398 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM400867
Similarity: 0.7029
Similarity to MM400867
| Tanimoto metric | 0.7029 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8255 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
