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DocumentationIdentifier: MM224626
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224626 |
| SMILES |
CC(CF)CCC(C)(C)N
|
| InChIKey |
GQQFLTXOPGTHTC-UHFFFAOYSA-N
|
| MW [Da] |
147.24
Automatically obtained from RDkit software. |
| LogP |
2.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143971
Similarity: 0.8462
Similarity to MM143971
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 133.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88530
Similarity: 0.7949
Similarity to MM88530
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 133.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227739
Similarity: 0.766
Similarity to MM227739
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8675 |
| MW: | 147.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+537 more
