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DocumentationIdentifier: MM221112
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221112 |
| SMILES |
CC(C)(C)CC(F)CC#N
|
| InChIKey |
CBJILQZUJIWRRC-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM129956
Similarity: 0.7105
Similarity to MM129956
| Tanimoto metric | 0.7105 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8308 |
| MW: | 132.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261360
Similarity: 0.6882
Similarity to MM261360
| Tanimoto metric | 0.6882 |
|---|---|
| Cosine metric | 0.8157 |
| Dice metric | 0.8153 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107199
Similarity: 0.6316
Similarity to MM107199
| Tanimoto metric | 0.6316 |
|---|---|
| Cosine metric | 0.7947 |
| Dice metric | 0.7742 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+354 more
