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DocumentationIdentifier: MM60596
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60596 |
| SMILES |
CC(=CCN)C(O)CCF
|
| InChIKey |
FRSBUKJFPXCEDG-UHFFFAOYSA-N
|
| MW [Da] |
147.19
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175066
Similarity: 0.7559
Similarity to MM175066
| Tanimoto metric | 0.7559 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.861 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM01721
Similarity: 0.6849
Similarity to MM01721
| Tanimoto metric | 0.6849 |
|---|---|
| Cosine metric | 0.8134 |
| Dice metric | 0.813 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295845
Similarity: 0.6803
Similarity to MM295845
| Tanimoto metric | 0.6803 |
|---|---|
| Cosine metric | 0.81 |
| Dice metric | 0.8097 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+493 more
