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DocumentationIdentifier: MM295902
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295902 |
| SMILES |
CC(=CCCF)CNC=O
|
| InChIKey |
MNGHKHRTUJVKQQ-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM360303
Similarity: 0.7353
Similarity to MM360303
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8486 |
| Dice metric | 0.8475 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312203
Similarity: 0.7009
Similarity to MM312203
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8242 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360383
Similarity: 0.6818
Similarity to MM360383
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8108 |
| Dice metric | 0.8108 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
