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DocumentationIdentifier: MM250471
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250471 |
| SMILES |
NCCC(N)CCC(F)F
|
| InChIKey |
DXACLASZBHFHIL-UHFFFAOYSA-N
|
| MW [Da] |
152.19
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143998
Similarity: 0.8133
Similarity to MM143998
| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 137.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92895
Similarity: 0.8
Similarity to MM92895
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 134.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254475
Similarity: 0.6771
Similarity to MM254475
| Tanimoto metric | 0.6771 |
|---|---|
| Cosine metric | 0.8093 |
| Dice metric | 0.8075 |
| MW: | 152.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+444 more
