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DocumentationIdentifier: MM298616
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298616 |
| SMILES |
C#CC(C=O)C(=N)N(C)C
|
| InChIKey |
SHMJGVQPOPMJGC-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160950
Similarity: 0.6963
Similarity to MM160950
| Tanimoto metric | 0.6963 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.821 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61703
Similarity: 0.6446
Similarity to MM61703
| Tanimoto metric | 0.6446 |
|---|---|
| Cosine metric | 0.7839 |
| Dice metric | 0.7839 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM73467
Similarity: 0.6438
Similarity to MM73467
| Tanimoto metric | 0.6438 |
|---|---|
| Cosine metric | 0.7895 |
| Dice metric | 0.7833 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+81 more
