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DocumentationIdentifier: MM374875
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374875 |
| SMILES |
O=C(CO)OC=CC=CF
|
| InChIKey |
CZGCIZFTADEXMM-UHFFFAOYSA-N
|
| MW [Da] |
146.12
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153852
Similarity: 0.7826
Similarity to MM153852
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM259371
Similarity: 0.6807
Similarity to MM259371
| Tanimoto metric | 0.6807 |
|---|---|
| Cosine metric | 0.8126 |
| Dice metric | 0.81 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113690
Similarity: 0.6739
Similarity to MM113690
| Tanimoto metric | 0.6739 |
|---|---|
| Cosine metric | 0.8209 |
| Dice metric | 0.8052 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+195 more
