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DocumentationIdentifier: MM222499
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222499 |
| SMILES |
CC(C)C(F)CC(C)(C)O
|
| InChIKey |
UMBIKWAHQTWJOH-UHFFFAOYSA-N
|
| MW [Da] |
148.22
Automatically obtained from RDkit software. |
| LogP |
2.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133498
Similarity: 0.8081
Similarity to MM133498
| Tanimoto metric | 0.8081 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8939 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221081
Similarity: 0.7477
Similarity to MM221081
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8559 |
| Dice metric | 0.8557 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221082
Similarity: 0.6975
Similarity to MM221082
| Tanimoto metric | 0.6975 |
|---|---|
| Cosine metric | 0.8219 |
| Dice metric | 0.8218 |
| MW: | 152.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+516 more
