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DocumentationIdentifier: MM227932
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227932 |
| SMILES |
CC(C)(CF)CCC(=O)O
|
| InChIKey |
IKJXQXQXJMSMTD-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254553
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| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8087 |
| Dice metric | 0.8085 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM340403
Similarity: 0.6786
Similarity to MM340403
| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8087 |
| Dice metric | 0.8085 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+224 more
