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DocumentationIdentifier: MM304660
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304660 |
| SMILES |
O=CCC(C=CF)=CCF
|
| InChIKey |
YJBGEJQGACYFKF-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
1.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM178702
Similarity: 0.8173
Similarity to MM178702
| Tanimoto metric | 0.8173 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179196
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| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM274171
Similarity: 0.6911
Similarity to MM274171
| Tanimoto metric | 0.6911 |
|---|---|
| Cosine metric | 0.8173 |
| Dice metric | 0.8173 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+473 more
