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DocumentationIdentifier: MM28422
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28422 |
| SMILES |
O=CNCC(F)(F)F
|
| InChIKey |
VRMVPBDYTFYKKL-UHFFFAOYSA-N
|
| MW [Da] |
127.07
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97328
Similarity: 0.7917
Similarity to MM97328
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 109.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24089
Similarity: 0.6032
Similarity to MM24089
| Tanimoto metric | 0.6032 |
|---|---|
| Cosine metric | 0.7534 |
| Dice metric | 0.7525 |
| MW: | 123.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96937
Similarity: 0.5833
Similarity to MM96937
| Tanimoto metric | 0.5833 |
|---|---|
| Cosine metric | 0.7638 |
| Dice metric | 0.7368 |
| MW: | 91.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+128 more
