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DocumentationIdentifier: MM360094
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360094 |
| SMILES |
NCC(F)C(F)=COC=O
|
| InChIKey |
HJLLGBQCQXXOOF-UHFFFAOYSA-N
|
| MW [Da] |
151.11
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163842
Similarity: 0.7556
Similarity to MM163842
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 136.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169542
Similarity: 0.6
Similarity to MM169542
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.7746 |
| Dice metric | 0.75 |
| MW: | 133.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241030
Similarity: 0.5
Similarity to MM241030
| Tanimoto metric | 0.5 |
|---|---|
| Cosine metric | 0.6699 |
| Dice metric | 0.6667 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
