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DocumentationIdentifier: MM59147
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59147 |
| SMILES |
CC(C)(C=CCO)NC=O
|
| InChIKey |
PSAGQKMTJCZJCS-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
MM299831
Similarity: 0.7767
Similarity to MM299831
| Tanimoto metric | 0.7767 |
|---|---|
| Cosine metric | 0.8813 |
| Dice metric | 0.8743 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157798
Similarity: 0.7573
Similarity to MM157798
| Tanimoto metric | 0.7573 |
|---|---|
| Cosine metric | 0.8702 |
| Dice metric | 0.8619 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302263
Similarity: 0.678
Similarity to MM302263
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8087 |
| Dice metric | 0.8081 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+172 more
