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DocumentationIdentifier: MM42744
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42744 |
| SMILES |
CC(CO)CC(F)C=O
|
| InChIKey |
IIUSYGHBQZMDNG-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM226128
Similarity: 0.8058
Similarity to MM226128
| Tanimoto metric | 0.8058 |
|---|---|
| Cosine metric | 0.8977 |
| Dice metric | 0.8925 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327032
Similarity: 0.7477
Similarity to MM327032
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8647 |
| Dice metric | 0.8557 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326161
Similarity: 0.7281
Similarity to MM326161
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8426 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+362 more
