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DocumentationIdentifier: MM52597
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52597 |
| SMILES |
CC(O)C(=CCO)CF
|
| InChIKey |
GKBSAKOAHYOITR-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM117082
Similarity: 0.802
Similarity to MM117082
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307425
Similarity: 0.7594
Similarity to MM307425
| Tanimoto metric | 0.7594 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8632 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96027
Similarity: 0.7372
Similarity to MM96027
| Tanimoto metric | 0.7372 |
|---|---|
| Cosine metric | 0.8586 |
| Dice metric | 0.8487 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+608 more
