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DocumentationIdentifier: MM15805
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15805 |
| SMILES |
C=CC(=O)CC=CF
|
| InChIKey |
LFFBUIOGKCLYFA-UHFFFAOYSA-N
|
| MW [Da] |
114.12
Automatically obtained from RDkit software. |
| LogP |
1.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157420
Similarity: 0.873
Similarity to MM157420
| Tanimoto metric | 0.873 |
|---|---|
| Cosine metric | 0.9344 |
| Dice metric | 0.9322 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34122
Similarity: 0.8361
Similarity to MM34122
| Tanimoto metric | 0.8361 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.9107 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157418
Similarity: 0.7534
Similarity to MM157418
| Tanimoto metric | 0.7534 |
|---|---|
| Cosine metric | 0.868 |
| Dice metric | 0.8594 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
