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DocumentationIdentifier: MM250667
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250667 |
| SMILES |
CC(=O)OCC(N)CCF
|
| InChIKey |
MJCVRPJFWITMKL-UHFFFAOYSA-N
|
| MW [Da] |
149.17
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM68798
Similarity: 0.7946
Similarity to MM68798
| Tanimoto metric | 0.7946 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8856 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155772
Similarity: 0.7411
Similarity to MM155772
| Tanimoto metric | 0.7411 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8513 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316715
Similarity: 0.6977
Similarity to MM316715
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8221 |
| Dice metric | 0.8219 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+235 more
