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DocumentationIdentifier: MM294610
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294610 |
| SMILES |
CC=CC(C)C(=O)CNC
|
| InChIKey |
WCXSUARHGLCJIG-UHFFFAOYSA-N
|
| MW [Da] |
141.21
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
MM38862
Similarity: 0.7807
Similarity to MM38862
| Tanimoto metric | 0.7807 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8768 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40598
Similarity: 0.7063
Similarity to MM40598
| Tanimoto metric | 0.7063 |
|---|---|
| Cosine metric | 0.8294 |
| Dice metric | 0.8279 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156829
Similarity: 0.6667
Similarity to MM156829
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+321 more
