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DocumentationIdentifier: MM178084
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178084 |
| SMILES |
C#CC(CCN)NC=O
|
| InChIKey |
AUGQZEKZUSNMCU-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
-0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM37656
Similarity: 0.7738
Similarity to MM37656
| Tanimoto metric | 0.7738 |
|---|---|
| Cosine metric | 0.8797 |
| Dice metric | 0.8725 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51340
Similarity: 0.6634
Similarity to MM51340
| Tanimoto metric | 0.6634 |
|---|---|
| Cosine metric | 0.7976 |
| Dice metric | 0.7976 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107215
Similarity: 0.631
Similarity to MM107215
| Tanimoto metric | 0.631 |
|---|---|
| Cosine metric | 0.7943 |
| Dice metric | 0.7737 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+227 more
