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DocumentationIdentifier: MM61422
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61422 |
| SMILES |
C#CCC(F)(CC)CC#N
|
| InChIKey |
VPNJJVVTLJGGNV-UHFFFAOYSA-N
|
| MW [Da] |
139.17
Automatically obtained from RDkit software. |
| LogP |
2.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61402
Similarity: 0.6458
Similarity to MM61402
| Tanimoto metric | 0.6458 |
|---|---|
| Cosine metric | 0.794 |
| Dice metric | 0.7848 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61423
Similarity: 0.6176
Similarity to MM61423
| Tanimoto metric | 0.6176 |
|---|---|
| Cosine metric | 0.7753 |
| Dice metric | 0.7636 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107291
Similarity: 0.6154
Similarity to MM107291
| Tanimoto metric | 0.6154 |
|---|---|
| Cosine metric | 0.7845 |
| Dice metric | 0.7619 |
| MW: | 111.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
