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DocumentationIdentifier: MM328453
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328453 |
| SMILES |
CNC(=N)CC(CF)CF
|
| InChIKey |
SMKMVFUAQQECJM-UHFFFAOYSA-N
|
| MW [Da] |
150.17
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM244940
Similarity: 0.7377
Similarity to MM244940
| Tanimoto metric | 0.7377 |
|---|---|
| Cosine metric | 0.8509 |
| Dice metric | 0.8491 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149883
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Similarity to MM149883
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328439
Similarity: 0.72
Similarity to MM328439
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.8372 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+430 more
