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DocumentationIdentifier: MM170971
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170971 |
| SMILES |
CNCCC=C(F)CF
|
| InChIKey |
FGDFOXXCKSSLIO-UHFFFAOYSA-N
|
| MW [Da] |
135.16
Automatically obtained from RDkit software. |
| LogP |
1.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM369909
Similarity: 0.8242
Similarity to MM369909
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84931
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| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8806 |
| MW: | 121.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM95912
Similarity: 0.76
Similarity to MM95912
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 117.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+722 more
