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DocumentationIdentifier: MM272779
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272779 |
| SMILES |
CC(=O)OC(C=CF)CN
|
| InChIKey |
ZWKWXMBNWLCUEH-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM329783
Similarity: 0.6733
Similarity to MM329783
| Tanimoto metric | 0.6733 |
|---|---|
| Cosine metric | 0.8056 |
| Dice metric | 0.8048 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329447
Similarity: 0.6579
Similarity to MM329447
| Tanimoto metric | 0.6579 |
|---|---|
| Cosine metric | 0.7943 |
| Dice metric | 0.7937 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329449
Similarity: 0.6398
Similarity to MM329449
| Tanimoto metric | 0.6398 |
|---|---|
| Cosine metric | 0.7803 |
| Dice metric | 0.7803 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+83 more
