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DocumentationIdentifier: MM328677
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328677 |
| SMILES |
O=C(CO)NC(CO)CO
|
| InChIKey |
WUOBBJCNDYYTAI-UHFFFAOYSA-N
|
| MW [Da] |
149.15
Automatically obtained from RDkit software. |
| LogP |
-2.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142050
Similarity: 0.8889
Similarity to MM142050
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149935
Similarity: 0.8222
Similarity to MM149935
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226785
Similarity: 0.7018
Similarity to MM226785
| Tanimoto metric | 0.7018 |
|---|---|
| Cosine metric | 0.8269 |
| Dice metric | 0.8247 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+421 more
