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DocumentationIdentifier: MM231294
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231294 |
| SMILES |
CC(C)(C)C(N)COC=O
|
| InChIKey |
NCQGUKPSLCKLQM-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162063
Similarity: 0.8495
Similarity to MM162063
| Tanimoto metric | 0.8495 |
|---|---|
| Cosine metric | 0.9217 |
| Dice metric | 0.9186 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362188
Similarity: 0.6695
Similarity to MM362188
| Tanimoto metric | 0.6695 |
|---|---|
| Cosine metric | 0.8033 |
| Dice metric | 0.802 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362190
Similarity: 0.6583
Similarity to MM362190
| Tanimoto metric | 0.6583 |
|---|---|
| Cosine metric | 0.7957 |
| Dice metric | 0.794 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
