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DocumentationIdentifier: MM406541
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406541 |
| SMILES |
CC(CC=O)C(CO)CF
|
| InChIKey |
LSRTXWYIXXLJDR-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54200
Similarity: 0.7475
Similarity to MM54200
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8555 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400538
Similarity: 0.6587
Similarity to MM400538
| Tanimoto metric | 0.6587 |
|---|---|
| Cosine metric | 0.7954 |
| Dice metric | 0.7943 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406543
Similarity: 0.5872
Similarity to MM406543
| Tanimoto metric | 0.5872 |
|---|---|
| Cosine metric | 0.7477 |
| Dice metric | 0.7399 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+260 more
