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DocumentationIdentifier: MM438499
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM438499 |
| SMILES |
C=CC(=CCOC=O)CN
|
| InChIKey |
QOAFBJJETCEFHV-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM437834
Similarity: 0.7339
Similarity to MM437834
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8466 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438493
Similarity: 0.7207
Similarity to MM438493
| Tanimoto metric | 0.7207 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8377 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171203
Similarity: 0.6907
Similarity to MM171203
| Tanimoto metric | 0.6907 |
|---|---|
| Cosine metric | 0.8311 |
| Dice metric | 0.8171 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+392 more
