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DocumentationIdentifier: MM70807
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70807 |
| SMILES |
C=CNC(=O)C=CCOC
|
| InChIKey |
PCNRBEJPFWXDJX-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158016
Similarity: 0.8485
Similarity to MM158016
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304418
Similarity: 0.7339
Similarity to MM304418
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.8466 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299903
Similarity: 0.708
Similarity to MM299903
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8293 |
| Dice metric | 0.829 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+269 more
