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DocumentationIdentifier: MM78709
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78709 |
| SMILES |
CC(CF)NCCCN
|
| InChIKey |
YWJPRHRBTNIJOT-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
MM112605
Similarity: 0.8305
Similarity to MM112605
| Tanimoto metric | 0.8305 |
|---|---|
| Cosine metric | 0.9113 |
| Dice metric | 0.9074 |
| MW: | 119.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239353
Similarity: 0.7763
Similarity to MM239353
| Tanimoto metric | 0.7763 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.8741 |
| MW: | 148.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402215
Similarity: 0.7284
Similarity to MM402215
| Tanimoto metric | 0.7284 |
|---|---|
| Cosine metric | 0.8535 |
| Dice metric | 0.8429 |
| MW: | 148.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+574 more
