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DocumentationIdentifier: MM161943
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161943 |
| SMILES |
CC(C)C(F)CCCO
|
| InChIKey |
YZSYWPUPQISGHF-UHFFFAOYSA-N
|
| MW [Da] |
134.19
Automatically obtained from RDkit software. |
| LogP |
1.75
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 | 0.7529 |
|---|---|
| Cosine metric | 0.8677 |
| Dice metric | 0.8591 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8528 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8433 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+473 more
