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DocumentationIdentifier: MM457937
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM457937 |
| SMILES |
CCC#CC=COC=CF
|
| InChIKey |
QQEVSCCDNQFJIK-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
2.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215804
Similarity: 0.8088
Similarity to MM215804
| Tanimoto metric | 0.8088 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8943 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM457990
Similarity: 0.7671
Similarity to MM457990
| Tanimoto metric | 0.7671 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8682 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM457929
Similarity: 0.7639
Similarity to MM457929
| Tanimoto metric | 0.7639 |
|---|---|
| Cosine metric | 0.8683 |
| Dice metric | 0.8661 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+318 more
