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DocumentationIdentifier: MM307997
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307997 |
| SMILES |
CC(CO)(CO)CNC=O
|
| InChIKey |
KYAAQUPLGIRQGN-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138221
Similarity: 0.8481
Similarity to MM138221
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9178 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198652
Similarity: 0.7722
Similarity to MM198652
| Tanimoto metric | 0.7722 |
|---|---|
| Cosine metric | 0.8787 |
| Dice metric | 0.8714 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112654
Similarity: 0.6709
Similarity to MM112654
| Tanimoto metric | 0.6709 |
|---|---|
| Cosine metric | 0.8191 |
| Dice metric | 0.803 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+256 more
