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DocumentationIdentifier: MM160016
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160016 |
| SMILES |
CC(C)C(C)C(F)C=O
|
| InChIKey |
LPRSFBQBWYENMQ-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
1.82
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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MM348320
Similarity: 0.767
Similarity to MM348320
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.8758 |
| Dice metric | 0.8681 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM111544
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| Tanimoto metric | 0.7468 |
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| Cosine metric | 0.8642 |
| Dice metric | 0.8551 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM253816
Similarity: 0.693
Similarity to MM253816
| Tanimoto metric | 0.693 |
|---|---|
| Cosine metric | 0.8325 |
| Dice metric | 0.8187 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
