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DocumentationIdentifier: MM221176
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221176 |
| SMILES |
CCCC(=O)CC(C)(C)F
|
| InChIKey |
VALVYKFVPOXVDY-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130135
Similarity: 0.8842
Similarity to MM130135
| Tanimoto metric | 0.8842 |
|---|---|
| Cosine metric | 0.9403 |
| Dice metric | 0.9385 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222638
Similarity: 0.7568
Similarity to MM222638
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8618 |
| Dice metric | 0.8615 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226677
Similarity: 0.7395
Similarity to MM226677
| Tanimoto metric | 0.7395 |
|---|---|
| Cosine metric | 0.8531 |
| Dice metric | 0.8502 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+265 more
