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DocumentationIdentifier: MM49962
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM49962 |
| SMILES |
CCC(O)C(F)CCO
|
| InChIKey |
SNIZCVHJPYQYTJ-UHFFFAOYSA-N
|
| MW [Da] |
136.17
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM268299
Similarity: 0.7925
Similarity to MM268299
| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8842 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49960
Similarity: 0.7579
Similarity to MM49960
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8623 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40733
Similarity: 0.7143
Similarity to MM40733
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.8333 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+355 more
