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DocumentationIdentifier: MM171653
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171653 |
| SMILES |
N#CC#CC=C(F)CF
|
| InChIKey |
KHXJODVTEGQPJN-UHFFFAOYSA-N
|
| MW [Da] |
127.09
Automatically obtained from RDkit software. |
| LogP |
1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114914
Similarity: 0.7733
Similarity to MM114914
| Tanimoto metric | 0.7733 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.8722 |
| MW: | 116.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106668
Similarity: 0.7467
Similarity to MM106668
| Tanimoto metric | 0.7467 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.855 |
| MW: | 109.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171652
Similarity: 0.6905
Similarity to MM171652
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.8169 |
| MW: | 128.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+325 more
