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DocumentationIdentifier: MM42145
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42145 |
| SMILES |
COC(C)(CF)CCO
|
| InChIKey |
XJOHDPHBFIZNEO-UHFFFAOYSA-N
|
| MW [Da] |
136.17
Automatically obtained from RDkit software. |
| LogP |
0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41801
Similarity: 0.6698
Similarity to MM41801
| Tanimoto metric | 0.6698 |
|---|---|
| Cosine metric | 0.8038 |
| Dice metric | 0.8023 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37459
Similarity: 0.6383
Similarity to MM37459
| Tanimoto metric | 0.6383 |
|---|---|
| Cosine metric | 0.7989 |
| Dice metric | 0.7792 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239256
Similarity: 0.5966
Similarity to MM239256
| Tanimoto metric | 0.5966 |
|---|---|
| Cosine metric | 0.7474 |
| Dice metric | 0.7474 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+451 more
