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DocumentationIdentifier: MM222559
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222559 |
| SMILES |
CC(=O)C(C)CC(C)(C)F
|
| InChIKey |
FMVLNSQQTMBKKV-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133612
Similarity: 0.7946
Similarity to MM133612
| Tanimoto metric | 0.7946 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8856 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245130
Similarity: 0.7
Similarity to MM245130
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8236 |
| Dice metric | 0.8235 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226149
Similarity: 0.672
Similarity to MM226149
| Tanimoto metric | 0.672 |
|---|---|
| Cosine metric | 0.8059 |
| Dice metric | 0.8038 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+248 more
