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DocumentationIdentifier: MM268567
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268567 |
| SMILES |
C=CC(N)C(O)CC(=C)C
|
| InChIKey |
YONXYEKPMBJPRI-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61137
Similarity: 0.7852
Similarity to MM61137
| Tanimoto metric | 0.7852 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8797 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74527
Similarity: 0.7846
Similarity to MM74527
| Tanimoto metric | 0.7846 |
|---|---|
| Cosine metric | 0.8858 |
| Dice metric | 0.8793 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348503
Similarity: 0.6857
Similarity to MM348503
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.8178 |
| Dice metric | 0.8136 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+278 more
