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DocumentationIdentifier: MM163121
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163121 |
| SMILES |
CC(O)C(N)C=CCO
|
| InChIKey |
AYGKVQSUMJMNII-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM59883
Similarity: 0.8132
Similarity to MM59883
| Tanimoto metric | 0.8132 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.897 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231546
Similarity: 0.7521
Similarity to MM231546
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8672 |
| Dice metric | 0.8585 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255333
Similarity: 0.6783
Similarity to MM255333
| Tanimoto metric | 0.6783 |
|---|---|
| Cosine metric | 0.8096 |
| Dice metric | 0.8083 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+589 more
