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DocumentationIdentifier: MM342009
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM342009 |
| SMILES |
C=CC(=CF)CCC(C)C
|
| InChIKey |
USLCSWGIEJRGIY-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
3.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200057
Similarity: 0.8171
Similarity to MM200057
| Tanimoto metric | 0.8171 |
|---|---|
| Cosine metric | 0.9039 |
| Dice metric | 0.8993 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413188
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| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8601 |
| Dice metric | 0.859 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM145231
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Similarity to MM145231
| Tanimoto metric | 0.7439 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8531 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+648 more
