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DocumentationIdentifier: MM76635
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76635 |
| SMILES |
CC(C#N)C(C)(C#N)CO
|
| InChIKey |
XUIUVSZFDBOANH-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
MM60430
Similarity: 0.8557
Similarity to MM60430
| Tanimoto metric | 0.8557 |
|---|---|
| Cosine metric | 0.9227 |
| Dice metric | 0.9222 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42243
Similarity: 0.7957
Similarity to MM42243
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319800
Similarity: 0.7383
Similarity to MM319800
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8495 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+355 more
