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DocumentationIdentifier: MM269100
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269100 |
| SMILES |
C#CC(=N)N(C)CC(N)=O
|
| InChIKey |
NKEBYNTZYDHLHU-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133758
Similarity: 0.7163
Similarity to MM133758
| Tanimoto metric | 0.7163 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8347 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268898
Similarity: 0.6182
Similarity to MM268898
| Tanimoto metric | 0.6182 |
|---|---|
| Cosine metric | 0.7653 |
| Dice metric | 0.764 |
| MW: | 144.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251753
Similarity: 0.5839
Similarity to MM251753
| Tanimoto metric | 0.5839 |
|---|---|
| Cosine metric | 0.7414 |
| Dice metric | 0.7373 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+8 more
