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DocumentationIdentifier: MM291583
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291583 |
| SMILES |
C=COC(C)COCC#N
|
| InChIKey |
CWSIHDULZNJQKY-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48482
Similarity: 0.7848
Similarity to MM48482
| Tanimoto metric | 0.7848 |
|---|---|
| Cosine metric | 0.8859 |
| Dice metric | 0.8794 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355637
Similarity: 0.7473
Similarity to MM355637
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8553 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291465
Similarity: 0.7241
Similarity to MM291465
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.84 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+418 more
