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DocumentationIdentifier: MM364122
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364122 |
| SMILES |
C#CCCCCC(O)C#N
|
| InChIKey |
LQFLVLNUYBGVDU-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165921
Similarity: 0.7917
Similarity to MM165921
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166193
Similarity: 0.7821
Similarity to MM166193
| Tanimoto metric | 0.7821 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.8777 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363843
Similarity: 0.7703
Similarity to MM363843
| Tanimoto metric | 0.7703 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8702 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+340 more
