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DocumentationIdentifier: MM108042
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108042 |
| SMILES |
CC(O)C(N)CCF
|
| InChIKey |
YTQGSVWLKJCUCV-UHFFFAOYSA-N
|
| MW [Da] |
121.16
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111482
Similarity: 0.7317
Similarity to MM111482
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8451 |
| MW: | 121.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73879
Similarity: 0.6939
Similarity to MM73879
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.833 |
| Dice metric | 0.8193 |
| MW: | 135.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171868
Similarity: 0.6869
Similarity to MM171868
| Tanimoto metric | 0.6869 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8144 |
| MW: | 135.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+482 more
