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DocumentationIdentifier: MM104351
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104351 |
| SMILES |
NC(=O)CC(O)C=O
|
| InChIKey |
XVHZJBNIBMAPPU-UHFFFAOYSA-N
|
| MW [Da] |
117.1
Automatically obtained from RDkit software. |
| LogP |
-1.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97161
Similarity: 0.7536
Similarity to MM97161
| Tanimoto metric | 0.7536 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8595 |
| MW: | 103.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108265
Similarity: 0.7229
Similarity to MM108265
| Tanimoto metric | 0.7229 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.8392 |
| MW: | 117.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142248
Similarity: 0.7188
Similarity to MM142248
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8364 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+151 more
