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DocumentationIdentifier: MM292789
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292789 |
| SMILES |
C=C(CNC)C(O)CCC
|
| InChIKey |
ZBIVINXUYOHWFG-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172338
Similarity: 0.7705
Similarity to MM172338
| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292790
Similarity: 0.7034
Similarity to MM292790
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.826 |
| Dice metric | 0.8259 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350389
Similarity: 0.6966
Similarity to MM350389
| Tanimoto metric | 0.6966 |
|---|---|
| Cosine metric | 0.8212 |
| Dice metric | 0.8211 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
