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DocumentationIdentifier: MM116175
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116175 |
| SMILES |
C=CN(C=O)CCF
|
| InChIKey |
YRWPRFTXHGIOMO-UHFFFAOYSA-N
|
| MW [Da] |
117.12
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178237
Similarity: 0.7619
Similarity to MM178237
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM27524
Similarity: 0.6875
Similarity to MM27524
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8148 |
| MW: | 99.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM149840
Similarity: 0.6598
Similarity to MM149840
| Tanimoto metric | 0.6598 |
|---|---|
| Cosine metric | 0.8123 |
| Dice metric | 0.795 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+225 more
