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DocumentationIdentifier: MM97122
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97122 |
| SMILES |
CC(O)C(C)(C)F
|
| InChIKey |
ZLKPVVZVRZPBQM-UHFFFAOYSA-N
|
| MW [Da] |
106.14
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM102546
Similarity: 0.7143
Similarity to MM102546
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 124.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102482
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| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 120.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM28655
Similarity: 0.6849
Similarity to MM28655
| Tanimoto metric | 0.6849 |
|---|---|
| Cosine metric | 0.8276 |
| Dice metric | 0.813 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+473 more
