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DocumentationIdentifier: MM228052
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228052 |
| SMILES |
CCC(C)(F)COC(C)=O
|
| InChIKey |
YBBHBKBWQMQQDP-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138265
Similarity: 0.7236
Similarity to MM138265
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8506 |
| Dice metric | 0.8396 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130434
Similarity: 0.6992
Similarity to MM130434
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.823 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58980
Similarity: 0.6096
Similarity to MM58980
| Tanimoto metric | 0.6096 |
|---|---|
| Cosine metric | 0.7583 |
| Dice metric | 0.7574 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+217 more
