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DocumentationIdentifier: MM388131
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388131 |
| SMILES |
CC(C)C(C#N)C(O)CF
|
| InChIKey |
KKYGVGMKFUYYMP-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376513
Similarity: 0.6944
Similarity to MM376513
| Tanimoto metric | 0.6944 |
|---|---|
| Cosine metric | 0.8197 |
| Dice metric | 0.8197 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376453
Similarity: 0.6781
Similarity to MM376453
| Tanimoto metric | 0.6781 |
|---|---|
| Cosine metric | 0.8082 |
| Dice metric | 0.8082 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180968
Similarity: 0.6721
Similarity to MM180968
| Tanimoto metric | 0.6721 |
|---|---|
| Cosine metric | 0.8198 |
| Dice metric | 0.8039 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+257 more
