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DocumentationIdentifier: MM250512
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250512 |
| SMILES |
CNCC(C)NCC(F)F
|
| InChIKey |
AKLPLPYRNBGXOU-UHFFFAOYSA-N
|
| MW [Da] |
152.19
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155700
Similarity: 0.8182
Similarity to MM155700
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 134.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144077
Similarity: 0.8182
Similarity to MM144077
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 138.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74875
Similarity: 0.759
Similarity to MM74875
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.863 |
| MW: | 148.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+355 more
