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DocumentationIdentifier: MM61102
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61102 |
| SMILES |
C#CCC(=O)C(C)(O)CF
|
| InChIKey |
LZSSBIGDOOMXJE-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173215
Similarity: 0.6797
Similarity to MM173215
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8245 |
| Dice metric | 0.8093 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40318
Similarity: 0.6405
Similarity to MM40318
| Tanimoto metric | 0.6405 |
|---|---|
| Cosine metric | 0.8003 |
| Dice metric | 0.7809 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354352
Similarity: 0.6034
Similarity to MM354352
| Tanimoto metric | 0.6034 |
|---|---|
| Cosine metric | 0.7562 |
| Dice metric | 0.7527 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+68 more
