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DocumentationIdentifier: MM144191
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144191 |
| SMILES |
C#CC(C)CCC(C)C
|
| InChIKey |
LYUUHXABFZAHKB-UHFFFAOYSA-N
|
| MW [Da] |
124.23
Automatically obtained from RDkit software. |
| LogP |
2.69
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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MM316225
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| Tanimoto metric | 0.9535 |
|---|---|
| Cosine metric | 0.9765 |
| Dice metric | 0.9762 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166319
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| Tanimoto metric | 0.907 |
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| Cosine metric | 0.9512 |
| Dice metric | 0.9512 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM112929
Similarity: 0.9024
Similarity to MM112929
| Tanimoto metric | 0.9024 |
|---|---|
| Cosine metric | 0.95 |
| Dice metric | 0.9487 |
| MW: | 110.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+731 more
