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DocumentationIdentifier: MM72558
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72558 |
| SMILES |
CC(N)CNC(C)CF
|
| InChIKey |
DITDJMAEDKZWCI-UHFFFAOYSA-N
|
| MW [Da] |
134.2
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM339800
Similarity: 0.8987
Similarity to MM339800
| Tanimoto metric | 0.8987 |
|---|---|
| Cosine metric | 0.948 |
| Dice metric | 0.9467 |
| MW: | 152.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227809
Similarity: 0.7889
Similarity to MM227809
| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.8882 |
| Dice metric | 0.882 |
| MW: | 148.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315941
Similarity: 0.7474
Similarity to MM315941
| Tanimoto metric | 0.7474 |
|---|---|
| Cosine metric | 0.8645 |
| Dice metric | 0.8554 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+554 more
