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DocumentationIdentifier: MM94053
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94053 |
| SMILES |
C=COC(CO)C(O)C#N
|
| InChIKey |
QOYUXUFSPALCDJ-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50033
Similarity: 0.7705
Similarity to MM50033
| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94051
Similarity: 0.7014
Similarity to MM94051
| Tanimoto metric | 0.7014 |
|---|---|
| Cosine metric | 0.8245 |
| Dice metric | 0.8245 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94160
Similarity: 0.6933
Similarity to MM94160
| Tanimoto metric | 0.6933 |
|---|---|
| Cosine metric | 0.8195 |
| Dice metric | 0.8189 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+134 more
