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DocumentationIdentifier: MM40139
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40139 |
| SMILES |
CC(C)(O)C(C)(F)C=O
|
| InChIKey |
KIWICCYWULMRLY-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103289
Similarity: 0.7373
Similarity to MM103289
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102575
Similarity: 0.6525
Similarity to MM102575
| Tanimoto metric | 0.6525 |
|---|---|
| Cosine metric | 0.8078 |
| Dice metric | 0.7897 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42557
Similarity: 0.6103
Similarity to MM42557
| Tanimoto metric | 0.6103 |
|---|---|
| Cosine metric | 0.7603 |
| Dice metric | 0.758 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+321 more
