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DocumentationIdentifier: MM228764
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228764 |
| SMILES |
CC(C)(CN)OC=C(F)F
|
| InChIKey |
NGKOFLIBUODWSX-UHFFFAOYSA-N
|
| MW [Da] |
151.16
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138605
Similarity: 0.8427
Similarity to MM138605
| Tanimoto metric | 0.8427 |
|---|---|
| Cosine metric | 0.918 |
| Dice metric | 0.9146 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM345828
Similarity: 0.7423
Similarity to MM345828
| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8521 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130563
Similarity: 0.6629
Similarity to MM130563
| Tanimoto metric | 0.6629 |
|---|---|
| Cosine metric | 0.8142 |
| Dice metric | 0.7973 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+405 more
