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DocumentationIdentifier: MM362030
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362030 |
| SMILES |
CCC(C)C(C)CCC#N
|
| InChIKey |
XNEZAIIQGLIPJX-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
MM292629
Similarity: 0.8667
Similarity to MM292629
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9292 |
| Dice metric | 0.9286 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301101
Similarity: 0.8571
Similarity to MM301101
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9238 |
| Dice metric | 0.9231 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162017
Similarity: 0.8519
Similarity to MM162017
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+230 more
