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DocumentationIdentifier: MM255947
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM255947 |
| SMILES |
CC(C)=CCC(=O)C(C)F
|
| InChIKey |
RKZQMSJCGMMSRE-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162925
Similarity: 0.8529
Similarity to MM162925
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9235 |
| Dice metric | 0.9206 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304414
Similarity: 0.7909
Similarity to MM304414
| Tanimoto metric | 0.7909 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.8832 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304700
Similarity: 0.7131
Similarity to MM304700
| Tanimoto metric | 0.7131 |
|---|---|
| Cosine metric | 0.8328 |
| Dice metric | 0.8325 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+323 more
