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DocumentationIdentifier: MM62890
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62890 |
| SMILES |
C=C(CC#N)OCC(C)O
|
| InChIKey |
JEADODFZICCHSB-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM434286
Similarity: 0.7734
Similarity to MM434286
| Tanimoto metric | 0.7734 |
|---|---|
| Cosine metric | 0.8795 |
| Dice metric | 0.8722 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46019
Similarity: 0.7677
Similarity to MM46019
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8762 |
| Dice metric | 0.8686 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156462
Similarity: 0.7172
Similarity to MM156462
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8353 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+687 more
