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DocumentationIdentifier: MM154829
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM154829 |
| SMILES |
CC(F)=CCNCCN
|
| InChIKey |
SAVBAVKTEBTGEL-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM70819
Similarity: 0.913
Similarity to MM70819
| Tanimoto metric | 0.913 |
|---|---|
| Cosine metric | 0.9555 |
| Dice metric | 0.9545 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106532
Similarity: 0.8254
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| Tanimoto metric | 0.8254 |
|---|---|
| Cosine metric | 0.9085 |
| Dice metric | 0.9043 |
| MW: | 117.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM369789
Similarity: 0.7412
Similarity to MM369789
| Tanimoto metric | 0.7412 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8514 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+474 more
