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DocumentationIdentifier: MM348767
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348767 |
| SMILES |
C#CCCC(C)C(O)C#C
|
| InChIKey |
ZYNRQFGBBRKSDV-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261815
Similarity: 0.7938
Similarity to MM261815
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8851 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268406
Similarity: 0.7909
Similarity to MM268406
| Tanimoto metric | 0.7909 |
|---|---|
| Cosine metric | 0.8866 |
| Dice metric | 0.8832 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403233
Similarity: 0.7889
Similarity to MM403233
| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.8882 |
| Dice metric | 0.882 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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