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DocumentationIdentifier: MM130045
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130045 |
| SMILES |
CC(C)(C)CC(F)C=O
|
| InChIKey |
ISRMGHYAUYHNKS-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
1.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM104203
Similarity: 0.8182
Similarity to MM104203
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226128
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Similarity to MM226128
| Tanimoto metric | 0.6408 |
|---|---|
| Cosine metric | 0.8005 |
| Dice metric | 0.7811 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM102402
Similarity: 0.6364
Similarity to MM102402
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7977 |
| Dice metric | 0.7778 |
| MW: | 118.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
