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DocumentationIdentifier: MM389194
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389194 |
| SMILES |
C#CC(=O)C(OC)C(C)F
|
| InChIKey |
MANKOVSWIABBCA-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM181019
Similarity: 0.7095
Similarity to MM181019
| Tanimoto metric | 0.7095 |
|---|---|
| Cosine metric | 0.8423 |
| Dice metric | 0.8301 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53391
Similarity: 0.6704
Similarity to MM53391
| Tanimoto metric | 0.6704 |
|---|---|
| Cosine metric | 0.8188 |
| Dice metric | 0.8027 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349417
Similarity: 0.5864
Similarity to MM349417
| Tanimoto metric | 0.5864 |
|---|---|
| Cosine metric | 0.7395 |
| Dice metric | 0.7393 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+98 more
