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DocumentationIdentifier: MM328779
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328779 |
| SMILES |
NCC(CO)OC(=O)CF
|
| InChIKey |
ABFVJNSHUXMTHB-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
MM149959
Similarity: 0.7364
Similarity to MM149959
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8582 |
| Dice metric | 0.8482 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142081
Similarity: 0.7287
Similarity to MM142081
| Tanimoto metric | 0.7287 |
|---|---|
| Cosine metric | 0.8536 |
| Dice metric | 0.843 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142082
Similarity: 0.6977
Similarity to MM142082
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8219 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+100 more
