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DocumentationIdentifier: MM334140
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334140 |
| SMILES |
CCC(=O)CC(C=O)=CF
|
| InChIKey |
MJGYEIZQQCYDOB-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
1.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143066
Similarity: 0.7288
Similarity to MM143066
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8431 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334429
Similarity: 0.7021
Similarity to MM334429
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8251 |
| Dice metric | 0.825 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM333067
Similarity: 0.697
Similarity to MM333067
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8226 |
| Dice metric | 0.8214 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
