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DocumentationIdentifier: MM165660
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165660 |
| SMILES |
CCC(C)CCCC#N
|
| InChIKey |
HPTYTBBFJDRVHG-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
2.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM402324
Similarity: 0.913
Similarity to MM402324
| Tanimoto metric | 0.913 |
|---|---|
| Cosine metric | 0.9555 |
| Dice metric | 0.9545 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291501
Similarity: 0.875
Similarity to MM291501
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363124
Similarity: 0.8696
Similarity to MM363124
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9305 |
| Dice metric | 0.9302 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
