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DocumentationIdentifier: MM171793
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171793 |
| SMILES |
CCC(C)C(F)CCF
|
| InChIKey |
QEHVANPSCMKERF-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171747
Similarity: 0.7632
Similarity to MM171747
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8658 |
| Dice metric | 0.8657 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111471
Similarity: 0.7273
Similarity to MM111471
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 118.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171798
Similarity: 0.7179
Similarity to MM171798
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8359 |
| Dice metric | 0.8358 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+504 more
