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DocumentationIdentifier: MM224207
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224207 |
| SMILES |
CC(C)(C)OC(C#N)CF
|
| InChIKey |
AKPPRCBATGXMTQ-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM79738
Similarity: 0.7957
Similarity to MM79738
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.8866 |
| Dice metric | 0.8862 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226206
Similarity: 0.7755
Similarity to MM226206
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8736 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116035
Similarity: 0.7326
Similarity to MM116035
| Tanimoto metric | 0.7326 |
|---|---|
| Cosine metric | 0.8559 |
| Dice metric | 0.8456 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+355 more
