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DocumentationIdentifier: MM234930
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234930 |
| SMILES |
C#CC(=O)C(C)(C)C(=N)N
|
| InChIKey |
QXKSYBCMZZVNFQ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
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 |
Similar entries
MM300079
Similarity: 0.6667
Similarity to MM300079
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8002 |
| Dice metric | 0.8 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74245
Similarity: 0.6354
Similarity to MM74245
| Tanimoto metric | 0.6354 |
|---|---|
| Cosine metric | 0.7771 |
| Dice metric | 0.7771 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390144
Similarity: 0.6224
Similarity to MM390144
| Tanimoto metric | 0.6224 |
|---|---|
| Cosine metric | 0.7674 |
| Dice metric | 0.7673 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+20 more
