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DocumentationIdentifier: MM374464
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374464 |
| SMILES |
CC(=O)CNCC(F)=CF
|
| InChIKey |
ZPUBNHRYDZSNRO-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35510
Similarity: 0.7905
Similarity to MM35510
| Tanimoto metric | 0.7905 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.883 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM461248
Similarity: 0.6614
Similarity to MM461248
| Tanimoto metric | 0.6614 |
|---|---|
| Cosine metric | 0.7962 |
| Dice metric | 0.7962 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48431
Similarity: 0.6336
Similarity to MM48431
| Tanimoto metric | 0.6336 |
|---|---|
| Cosine metric | 0.7758 |
| Dice metric | 0.7757 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+41 more
