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DocumentationIdentifier: MM316750
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM316750 |
| SMILES |
NCC(F)COC(=O)CO
|
| InChIKey |
RNPGEFZQHZZOIK-UHFFFAOYSA-N
|
| MW [Da] |
151.14
Automatically obtained from RDkit software. |
| LogP |
-1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144344
Similarity: 0.7778
Similarity to MM144344
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316748
Similarity: 0.6815
Similarity to MM316748
| Tanimoto metric | 0.6815 |
|---|---|
| Cosine metric | 0.811 |
| Dice metric | 0.8106 |
| MW: | 149.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166540
Similarity: 0.6496
Similarity to MM166540
| Tanimoto metric | 0.6496 |
|---|---|
| Cosine metric | 0.806 |
| Dice metric | 0.7876 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+162 more
