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DocumentationIdentifier: MM326084
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM326084 |
| SMILES |
CCC(CC)CC(C)C#N
|
| InChIKey |
SGVGWYPHCOFDMM-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
MM141612
Similarity: 0.9259
Similarity to MM141612
| Tanimoto metric | 0.9259 |
|---|---|
| Cosine metric | 0.9623 |
| Dice metric | 0.9615 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327684
Similarity: 0.8065
Similarity to MM327684
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8929 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326518
Similarity: 0.8065
Similarity to MM326518
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8929 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
