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DocumentationIdentifier: MM228172
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228172 |
| SMILES |
CC(=N)NCC(C)(F)C=O
|
| InChIKey |
WZEKRQLUIOTYSO-UHFFFAOYSA-N
|
| MW [Da] |
146.17
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130420
Similarity: 0.685
Similarity to MM130420
| Tanimoto metric | 0.685 |
|---|---|
| Cosine metric | 0.8277 |
| Dice metric | 0.8131 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309426
Similarity: 0.6786
Similarity to MM309426
| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8112 |
| Dice metric | 0.8085 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240119
Similarity: 0.6528
Similarity to MM240119
| Tanimoto metric | 0.6528 |
|---|---|
| Cosine metric | 0.7917 |
| Dice metric | 0.7899 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+76 more
