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DocumentationIdentifier: MM131516
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131516 |
| SMILES |
CC(C)(F)CCCC=O
|
| InChIKey |
WBWQXRTVFQYYOG-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
2.1
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 | 0.775 |
|---|---|
| Cosine metric | 0.8803 |
| Dice metric | 0.8732 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.71 |
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MM102710
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Similarity to MM102710
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8424 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+446 more
