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DocumentationIdentifier: MM62250
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62250 |
| SMILES |
CC(C=O)NC(=O)C(C)C
|
| InChIKey |
SJIZOBMKZMQNKU-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142277
Similarity: 0.8119
Similarity to MM142277
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8962 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM466897
Similarity: 0.7593
Similarity to MM466897
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8632 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162515
Similarity: 0.7426
Similarity to MM162515
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8617 |
| Dice metric | 0.8523 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+418 more
