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DocumentationIdentifier: MM138231
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138231 |
| SMILES |
CC(O)(CN)CNC=O
|
| InChIKey |
YHYZDHWTYUENOT-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM308022
Similarity: 0.9425
Similarity to MM308022
| Tanimoto metric | 0.9425 |
|---|---|
| Cosine metric | 0.9708 |
| Dice metric | 0.9704 |
| MW: | 147.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28418
Similarity: 0.7317
Similarity to MM28418
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8451 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226229
Similarity: 0.7257
Similarity to MM226229
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.841 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+333 more
