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DocumentationIdentifier: MM160008
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160008 |
| SMILES |
CC(F)C(C)C(C)C#N
|
| InChIKey |
SQWNWSBOTGOZJL-UHFFFAOYSA-N
|
| MW [Da] |
129.18
Automatically obtained from RDkit software. |
| LogP |
2.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388203
Similarity: 0.7778
Similarity to MM388203
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348332
Similarity: 0.6942
Similarity to MM348332
| Tanimoto metric | 0.6942 |
|---|---|
| Cosine metric | 0.8332 |
| Dice metric | 0.8195 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108100
Similarity: 0.6905
Similarity to MM108100
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8309 |
| Dice metric | 0.8169 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+384 more
