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DocumentationIdentifier: MM68757
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68757 |
| SMILES |
CCC(O)(CN)CC=CF
|
| InChIKey |
UQYKBLGRCLODGG-UHFFFAOYSA-N
|
| MW [Da] |
147.19
Automatically obtained from RDkit software. |
| LogP |
0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM68756
Similarity: 0.7627
Similarity to MM68756
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69003
Similarity: 0.7627
Similarity to MM69003
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68607
Similarity: 0.7258
Similarity to MM68607
| Tanimoto metric | 0.7258 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8411 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+358 more
