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DocumentationIdentifier: MM452461
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM452461 |
| SMILES |
CC(C=O)NCC(F)=CF
|
| InChIKey |
RLTLOLRVBQVYJM-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM374464
Similarity: 0.622
Similarity to MM374464
| Tanimoto metric | 0.622 |
|---|---|
| Cosine metric | 0.7671 |
| Dice metric | 0.767 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM453933
Similarity: 0.6061
Similarity to MM453933
| Tanimoto metric | 0.6061 |
|---|---|
| Cosine metric | 0.7556 |
| Dice metric | 0.7547 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320315
Similarity: 0.6033
Similarity to MM320315
| Tanimoto metric | 0.6033 |
|---|---|
| Cosine metric | 0.7532 |
| Dice metric | 0.7526 |
| MW: | 153.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+90 more
