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DocumentationIdentifier: MM64874
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64874 |
| SMILES |
C=CCC(=O)NC(C)CO
|
| InChIKey |
VGCRNALYIXEUSE-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142049
Similarity: 0.8286
Similarity to MM142049
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328675
Similarity: 0.7565
Similarity to MM328675
| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8614 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156424
Similarity: 0.7524
Similarity to MM156424
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8674 |
| Dice metric | 0.8587 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+394 more
