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DocumentationIdentifier: MM102539
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM102539 |
| SMILES |
CC(CO)C(C)(C)F
|
| InChIKey |
HKJILKSFIMKZOA-UHFFFAOYSA-N
|
| MW [Da] |
120.17
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41467
Similarity: 0.7108
Similarity to MM41467
| Tanimoto metric | 0.7108 |
|---|---|
| Cosine metric | 0.8431 |
| Dice metric | 0.831 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97067
Similarity: 0.678
Similarity to MM97067
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8234 |
| Dice metric | 0.8081 |
| MW: | 106.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319558
Similarity: 0.6211
Similarity to MM319558
| Tanimoto metric | 0.6211 |
|---|---|
| Cosine metric | 0.7881 |
| Dice metric | 0.7662 |
| MW: | 152.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+545 more
