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DocumentationIdentifier: MM66919
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66919 |
| SMILES |
CC(=O)OC(C#N)CC#N
|
| InChIKey |
HVDSSAABOCPJAD-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51310
Similarity: 0.6949
Similarity to MM51310
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.8336 |
| Dice metric | 0.82 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66918
Similarity: 0.6552
Similarity to MM66918
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.7918 |
| Dice metric | 0.7917 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272610
Similarity: 0.6507
Similarity to MM272610
| Tanimoto metric | 0.6507 |
|---|---|
| Cosine metric | 0.7886 |
| Dice metric | 0.7884 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+71 more
