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DocumentationIdentifier: MM458017
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM458017 |
| SMILES |
C#CC#CC=COC=CF
|
| InChIKey |
BABYLLGBIZNGQZ-UHFFFAOYSA-N
|
| MW [Da] |
136.13
Automatically obtained from RDkit software. |
| LogP |
1.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215872
Similarity: 0.8
Similarity to MM215872
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM457990
Similarity: 0.8
Similarity to MM457990
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8893 |
| Dice metric | 0.8889 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM458015
Similarity: 0.7536
Similarity to MM458015
| Tanimoto metric | 0.7536 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8595 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
