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DocumentationIdentifier: MM351424
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351424 |
| SMILES |
C#CCNC(=O)C(O)C=O
|
| InChIKey |
HRKPCPCOJICFHN-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162578
Similarity: 0.8031
Similarity to MM162578
| Tanimoto metric | 0.8031 |
|---|---|
| Cosine metric | 0.8962 |
| Dice metric | 0.8908 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173258
Similarity: 0.7953
Similarity to MM173258
| Tanimoto metric | 0.7953 |
|---|---|
| Cosine metric | 0.8918 |
| Dice metric | 0.886 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350836
Similarity: 0.7163
Similarity to MM350836
| Tanimoto metric | 0.7163 |
|---|---|
| Cosine metric | 0.8357 |
| Dice metric | 0.8347 |
| MW: | 147.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
