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DocumentationIdentifier: MM179266
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179266 |
| SMILES |
C=COC(C#N)=CC#N
|
| InChIKey |
SKWRELYPUZMLET-UHFFFAOYSA-N
|
| MW [Da] |
120.11
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
MM116563
Similarity: 0.7976
Similarity to MM116563
| Tanimoto metric | 0.7976 |
|---|---|
| Cosine metric | 0.8931 |
| Dice metric | 0.8874 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383454
Similarity: 0.7925
Similarity to MM383454
| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8842 |
| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38414
Similarity: 0.7619
Similarity to MM38414
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 108.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+298 more
