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DocumentationIdentifier: MM145142
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145142 |
| SMILES |
C=CC(=O)NCC(N)=O
|
| InChIKey |
GVGGWUXGMRTNIK-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM319477
Similarity: 0.8317
Similarity to MM319477
| Tanimoto metric | 0.8317 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9081 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113325
Similarity: 0.7024
Similarity to MM113325
| Tanimoto metric | 0.7024 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.8252 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103467
Similarity: 0.6905
Similarity to MM103467
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8309 |
| Dice metric | 0.8169 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+261 more
