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DocumentationIdentifier: MM15297
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15297 |
| SMILES |
C#CC(C)(C#N)C(F)C=O
|
| InChIKey |
VPZSLVWROJVFKE-UHFFFAOYSA-N
|
| MW [Da] |
139.13
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139950
Similarity: 0.7234
Similarity to MM139950
| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8395 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137739
Similarity: 0.6241
Similarity to MM137739
| Tanimoto metric | 0.6241 |
|---|---|
| Cosine metric | 0.79 |
| Dice metric | 0.7686 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139606
Similarity: 0.5816
Similarity to MM139606
| Tanimoto metric | 0.5816 |
|---|---|
| Cosine metric | 0.7626 |
| Dice metric | 0.7354 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+52 more
