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DocumentationIdentifier: MM222803
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222803 |
| SMILES |
CC(C)C(C)(F)C(C)(C)O
|
| InChIKey |
VSEMXCTXOUEVDL-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
MM130996
Similarity: 0.8346
Similarity to MM130996
| Tanimoto metric | 0.8346 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9099 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132893
Similarity: 0.8031
Similarity to MM132893
| Tanimoto metric | 0.8031 |
|---|---|
| Cosine metric | 0.8962 |
| Dice metric | 0.8908 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222359
Similarity: 0.6646
Similarity to MM222359
| Tanimoto metric | 0.6646 |
|---|---|
| Cosine metric | 0.7996 |
| Dice metric | 0.7985 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+364 more
