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DocumentationIdentifier: MM233944
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233944 |
| SMILES |
C=CCC(C)(F)COC=O
|
| InChIKey |
ATYDAIAUWVGABW-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.46
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: 0.7542
Similarity to MM138265
| Tanimoto metric | 0.7542 |
|---|---|
| Cosine metric | 0.8685 |
| Dice metric | 0.8599 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155949
Similarity: 0.6864
Similarity to MM155949
| Tanimoto metric | 0.6864 |
|---|---|
| Cosine metric | 0.8285 |
| Dice metric | 0.8141 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58980
Similarity: 0.6312
Similarity to MM58980
| Tanimoto metric | 0.6312 |
|---|---|
| Cosine metric | 0.7742 |
| Dice metric | 0.7739 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+128 more
