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DocumentationIdentifier: MM291501
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291501 |
| SMILES |
CC(CC#N)CCCC#N
|
| InChIKey |
XWKHZCJVMBUPDS-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
2.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155843
Similarity: 0.9583
Similarity to MM155843
| Tanimoto metric | 0.9583 |
|---|---|
| Cosine metric | 0.9789 |
| Dice metric | 0.9787 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261321
Similarity: 0.9231
Similarity to MM261321
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250531
Similarity: 0.8846
Similarity to MM250531
| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.939 |
| Dice metric | 0.9388 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+308 more
