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DocumentationIdentifier: MM180007
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180007 |
| SMILES |
N#CC(CC=O)C(N)=O
|
| InChIKey |
YSRZZJSKCCKSDT-UHFFFAOYSA-N
|
| MW [Da] |
126.12
Automatically obtained from RDkit software. |
| LogP |
-0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM117021
Similarity: 0.7789
Similarity to MM117021
| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8757 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275411
Similarity: 0.7724
Similarity to MM275411
| Tanimoto metric | 0.7724 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8716 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150121
Similarity: 0.6789
Similarity to MM150121
| Tanimoto metric | 0.6789 |
|---|---|
| Cosine metric | 0.8093 |
| Dice metric | 0.8087 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+84 more
