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DocumentationIdentifier: MM326530
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM326530 |
| SMILES |
C=CC(CO)CC(C)CN
|
| InChIKey |
BQDPTIREETVESY-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM85770
Similarity: 0.809
Similarity to MM85770
| Tanimoto metric | 0.809 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8944 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326524
Similarity: 0.7723
Similarity to MM326524
| Tanimoto metric | 0.7723 |
|---|---|
| Cosine metric | 0.8715 |
| Dice metric | 0.8715 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365804
Similarity: 0.7079
Similarity to MM365804
| Tanimoto metric | 0.7079 |
|---|---|
| Cosine metric | 0.8413 |
| Dice metric | 0.8289 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+455 more
