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DocumentationIdentifier: MM235649
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235649 |
| SMILES |
CC(C)NCCCC(F)F
|
| InChIKey |
XDXMSOOYXQAXAW-UHFFFAOYSA-N
|
| MW [Da] |
151.2
Automatically obtained from RDkit software. |
| LogP |
2.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM152474
Similarity: 0.8548
Similarity to MM152474
| Tanimoto metric | 0.8548 |
|---|---|
| Cosine metric | 0.9246 |
| Dice metric | 0.9217 |
| MW: | 137.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM286904
Similarity: 0.8281
Similarity to MM286904
| Tanimoto metric | 0.8281 |
|---|---|
| Cosine metric | 0.9076 |
| Dice metric | 0.906 |
| MW: | 151.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM286905
Similarity: 0.7361
Similarity to MM286905
| Tanimoto metric | 0.7361 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.848 |
| MW: | 152.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+650 more
