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DocumentationIdentifier: MM102569
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM102569 |
| SMILES |
CC(C)(C)C(O)C#N
|
| InChIKey |
SAOOLIIHRNLCBT-UHFFFAOYSA-N
|
| MW [Da] |
113.16
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM26990
Similarity: 0.7736
Similarity to MM26990
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8795 |
| Dice metric | 0.8723 |
| MW: | 99.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41550
Similarity: 0.6625
Similarity to MM41550
| Tanimoto metric | 0.6625 |
|---|---|
| Cosine metric | 0.8139 |
| Dice metric | 0.797 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41492
Similarity: 0.6543
Similarity to MM41492
| Tanimoto metric | 0.6543 |
|---|---|
| Cosine metric | 0.8089 |
| Dice metric | 0.791 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
