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DocumentationIdentifier: MM142727
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142727 |
| SMILES |
C=CC(=C)NC(=O)CC
|
| InChIKey |
OGFIDDGEDGRGCK-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM263703
Similarity: 0.8609
Similarity to MM263703
| Tanimoto metric | 0.8609 |
|---|---|
| Cosine metric | 0.9278 |
| Dice metric | 0.9252 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263606
Similarity: 0.839
Similarity to MM263606
| Tanimoto metric | 0.839 |
|---|---|
| Cosine metric | 0.916 |
| Dice metric | 0.9124 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264447
Similarity: 0.825
Similarity to MM264447
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9041 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+364 more
