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DocumentationIdentifier: MM404894
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404894 |
| SMILES |
C=CC(C=C)=COC=CF
|
| InChIKey |
CGKXRGMNKZDASL-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
2.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171372
Similarity: 0.8889
Similarity to MM171372
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201895
Similarity: 0.7917
Similarity to MM201895
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM285099
Similarity: 0.7111
Similarity to MM285099
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8329 |
| Dice metric | 0.8312 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
