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DocumentationIdentifier: MM288813
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288813 |
| SMILES |
CC(C)N=CNC=CC=O
|
| InChIKey |
PIZCEIXUEPAMRO-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM71555
Similarity: 0.8356
Similarity to MM71555
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9141 |
| Dice metric | 0.9104 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452946
Similarity: 0.759
Similarity to MM452946
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.863 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452948
Similarity: 0.7011
Similarity to MM452948
| Tanimoto metric | 0.7011 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8243 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+260 more
