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DocumentationIdentifier: MM95955
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM95955 |
| SMILES |
CN=CNCC(F)CF
|
| InChIKey |
WXDMONAREWZALC-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM105840
Similarity: 0.7403
Similarity to MM105840
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8604 |
| Dice metric | 0.8507 |
| MW: | 118.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141731
Similarity: 0.62
Similarity to MM141731
| Tanimoto metric | 0.62 |
|---|---|
| Cosine metric | 0.7664 |
| Dice metric | 0.7654 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131620
Similarity: 0.6
Similarity to MM131620
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.7501 |
| Dice metric | 0.75 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
