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DocumentationIdentifier: MM234581
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234581 |
| SMILES |
CC(C)C(C)(C)C(O)C#N
|
| InChIKey |
GIHATCAICSXUAZ-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137534
Similarity: 0.7642
Similarity to MM137534
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8663 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160013
Similarity: 0.7547
Similarity to MM160013
| Tanimoto metric | 0.7547 |
|---|---|
| Cosine metric | 0.8687 |
| Dice metric | 0.8602 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223694
Similarity: 0.735
Similarity to MM223694
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8481 |
| Dice metric | 0.8473 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
