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DocumentationIdentifier: MM97916
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97916 |
| SMILES |
CC(CO)NC=O
|
| InChIKey |
ZEUHEBVQCRZUER-UHFFFAOYSA-N
|
| MW [Da] |
103.12
Automatically obtained from RDkit software. |
| LogP |
-0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM37495
Similarity: 0.84
Similarity to MM37495
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28517
Similarity: 0.7241
Similarity to MM28517
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111591
Similarity: 0.6774
Similarity to MM111591
| Tanimoto metric | 0.6774 |
|---|---|
| Cosine metric | 0.8231 |
| Dice metric | 0.8077 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
