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DocumentationIdentifier: MM265072
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM265072 |
| SMILES |
CNCC(=N)NC(C)=CF
|
| InChIKey |
LKYCPDTUYJZULT-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143107
Similarity: 0.84
Similarity to MM143107
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135533
Similarity: 0.728
Similarity to MM135533
| Tanimoto metric | 0.728 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8426 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM89197
Similarity: 0.6842
Similarity to MM89197
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.818 |
| Dice metric | 0.8125 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+280 more
