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DocumentationIdentifier: MM275411
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM275411 |
| SMILES |
N#CC(CC(N)=O)C(N)=O
|
| InChIKey |
KFGCMPFWBITUSK-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180007
Similarity: 0.7724
Similarity to MM180007
| Tanimoto metric | 0.7724 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8716 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM117021
Similarity: 0.6016
Similarity to MM117021
| Tanimoto metric | 0.6016 |
|---|---|
| Cosine metric | 0.7756 |
| Dice metric | 0.7513 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52887
Similarity: 0.5755
Similarity to MM52887
| Tanimoto metric | 0.5755 |
|---|---|
| Cosine metric | 0.7362 |
| Dice metric | 0.7306 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
