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DocumentationIdentifier: MM60412
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60412 |
| SMILES |
CC(C)(CO)C(C#N)C#N
|
| InChIKey |
HDVZGKBBVOUZDS-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197084
Similarity: 0.7662
Similarity to MM197084
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76691
Similarity: 0.7363
Similarity to MM76691
| Tanimoto metric | 0.7363 |
|---|---|
| Cosine metric | 0.8484 |
| Dice metric | 0.8481 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76635
Similarity: 0.7172
Similarity to MM76635
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.8353 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
