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DocumentationIdentifier: MM250531
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250531 |
| SMILES |
CC(C)CCC(C)CC#N
|
| InChIKey |
OENLOBHLXYCYDJ-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291373
Similarity: 0.9231
Similarity to MM291373
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.96 |
| Dice metric | 0.96 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155843
Similarity: 0.92
Similarity to MM155843
| Tanimoto metric | 0.92 |
|---|---|
| Cosine metric | 0.9592 |
| Dice metric | 0.9583 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291501
Similarity: 0.8846
Similarity to MM291501
| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.939 |
| Dice metric | 0.9388 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
