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DocumentationIdentifier: MM79663
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79663 |
| SMILES |
COC(CO)CC(C)C#N
|
| InChIKey |
IFBOZJAGJJMIDS-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141684
Similarity: 0.7453
Similarity to MM141684
| Tanimoto metric | 0.7453 |
|---|---|
| Cosine metric | 0.8633 |
| Dice metric | 0.8541 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54201
Similarity: 0.7075
Similarity to MM54201
| Tanimoto metric | 0.7075 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8287 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141642
Similarity: 0.7075
Similarity to MM141642
| Tanimoto metric | 0.7075 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8287 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
