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DocumentationIdentifier: MM307015
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307015 |
| SMILES |
CC(C#N)(CF)C(=O)CO
|
| InChIKey |
SRRBQQCROOLOHG-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM312778
Similarity: 0.6748
Similarity to MM312778
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8071 |
| Dice metric | 0.8059 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41676
Similarity: 0.6181
Similarity to MM41676
| Tanimoto metric | 0.6181 |
|---|---|
| Cosine metric | 0.7862 |
| Dice metric | 0.7639 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76910
Similarity: 0.5528
Similarity to MM76910
| Tanimoto metric | 0.5528 |
|---|---|
| Cosine metric | 0.7204 |
| Dice metric | 0.712 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+56 more
