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DocumentationIdentifier: MM180968
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180968 |
| SMILES |
CC(C)C(C#N)C(C)O
|
| InChIKey |
XCTAAIAUXGAYPI-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM220749
Similarity: 0.8119
Similarity to MM220749
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8962 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388129
Similarity: 0.7257
Similarity to MM388129
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.841 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388131
Similarity: 0.6721
Similarity to MM388131
| Tanimoto metric | 0.6721 |
|---|---|
| Cosine metric | 0.8198 |
| Dice metric | 0.8039 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+459 more
