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DocumentationIdentifier: MM379947
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379947 |
| SMILES |
C=CC(=C)C(C=O)C=CF
|
| InChIKey |
ZXDRDGKSFKUTEY-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
2.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180193
Similarity: 0.7627
Similarity to MM180193
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197529
Similarity: 0.7288
Similarity to MM197529
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8431 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379953
Similarity: 0.6879
Similarity to MM379953
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8152 |
| Dice metric | 0.8151 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+90 more
