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DocumentationIdentifier: MM323714
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM323714 |
| SMILES |
CNC(=O)C#CC(=O)NC
|
| InChIKey |
QSFBKMIIBTZYSF-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146181
Similarity: 0.9718
Similarity to MM146181
| Tanimoto metric | 0.9718 |
|---|---|
| Cosine metric | 0.9858 |
| Dice metric | 0.9857 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35730
Similarity: 0.8873
Similarity to MM35730
| Tanimoto metric | 0.8873 |
|---|---|
| Cosine metric | 0.942 |
| Dice metric | 0.9403 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37262
Similarity: 0.8169
Similarity to MM37262
| Tanimoto metric | 0.8169 |
|---|---|
| Cosine metric | 0.9038 |
| Dice metric | 0.8992 |
| MW: | 111.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+236 more
