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DocumentationIdentifier: MM420409
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420409 |
| SMILES |
CCC=COC(C=O)=CN
|
| InChIKey |
AFUQYGPVLXOAEQ-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM55066
Similarity: 0.8447
Similarity to MM55066
| Tanimoto metric | 0.8447 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9158 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82045
Similarity: 0.7479
Similarity to MM82045
| Tanimoto metric | 0.7479 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8558 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420415
Similarity: 0.7436
Similarity to MM420415
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.853 |
| Dice metric | 0.8529 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+137 more
