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DocumentationIdentifier: MM345808
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345808 |
| SMILES |
CCC(CF)OC=C(C)C
|
| InChIKey |
BCUWGUBPNMZDHT-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199463
Similarity: 0.8557
Similarity to MM199463
| Tanimoto metric | 0.8557 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405990
Similarity: 0.7217
Similarity to MM405990
| Tanimoto metric | 0.7217 |
|---|---|
| Cosine metric | 0.8386 |
| Dice metric | 0.8384 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM345816
Similarity: 0.6748
Similarity to MM345816
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8072 |
| Dice metric | 0.8058 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+681 more
