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DocumentationIdentifier: MM246571
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246571 |
| SMILES |
C#CC(=O)CC(=N)N(C)C
|
| InChIKey |
HXEDNTPETYUNMZ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133920
Similarity: 0.7619
Similarity to MM133920
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88712
Similarity: 0.6818
Similarity to MM88712
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8111 |
| Dice metric | 0.8108 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87000
Similarity: 0.6522
Similarity to MM87000
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7895 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
