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DocumentationIdentifier: MM366527
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM366527 |
| SMILES |
CC(C=O)NCCC=CF
|
| InChIKey |
REHXMMYLBUJZOU-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
MM42047
Similarity: 0.8182
Similarity to MM42047
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM366525
Similarity: 0.7241
Similarity to MM366525
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.8403 |
| Dice metric | 0.84 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152947
Similarity: 0.6883
Similarity to MM152947
| Tanimoto metric | 0.6883 |
|---|---|
| Cosine metric | 0.8296 |
| Dice metric | 0.8154 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+583 more
