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DocumentationIdentifier: MM47919
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47919 |
| SMILES |
C=CC(O)C(C#N)NCC
|
| InChIKey |
JMQLWDUJAOGYPW-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46809
Similarity: 0.7192
Similarity to MM46809
| Tanimoto metric | 0.7192 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8367 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM187982
Similarity: 0.6875
Similarity to MM187982
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8149 |
| Dice metric | 0.8148 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM183659
Similarity: 0.6722
Similarity to MM183659
| Tanimoto metric | 0.6722 |
|---|---|
| Cosine metric | 0.8043 |
| Dice metric | 0.804 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+137 more
