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DocumentationIdentifier: MM353169
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353169 |
| SMILES |
C#CC(N)C(O)C(C)=CC
|
| InChIKey |
JOUYXAJNTRLZAV-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160310
Similarity: 0.7588
Similarity to MM160310
| Tanimoto metric | 0.7588 |
|---|---|
| Cosine metric | 0.8711 |
| Dice metric | 0.8629 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35651
Similarity: 0.6468
Similarity to MM35651
| Tanimoto metric | 0.6468 |
|---|---|
| Cosine metric | 0.7858 |
| Dice metric | 0.7855 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349854
Similarity: 0.6293
Similarity to MM349854
| Tanimoto metric | 0.6293 |
|---|---|
| Cosine metric | 0.7726 |
| Dice metric | 0.7725 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+181 more
