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DocumentationIdentifier: MM294717
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294717 |
| SMILES |
CCC(C)(CC=O)NC=O
|
| InChIKey |
QGTBGJFJQIBXIO-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM311290
Similarity: 0.6667
Similarity to MM311290
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298159
Similarity: 0.6098
Similarity to MM298159
| Tanimoto metric | 0.6098 |
|---|---|
| Cosine metric | 0.7579 |
| Dice metric | 0.7576 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352881
Similarity: 0.5865
Similarity to MM352881
| Tanimoto metric | 0.5865 |
|---|---|
| Cosine metric | 0.7397 |
| Dice metric | 0.7393 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
