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DocumentationIdentifier: MM328749
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328749 |
| SMILES |
C=C(CO)OC(CN)CO
|
| InChIKey |
NNUWTEPVLYHCQT-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM328747
Similarity: 0.7597
Similarity to MM328747
| Tanimoto metric | 0.7597 |
|---|---|
| Cosine metric | 0.8634 |
| Dice metric | 0.8634 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272286
Similarity: 0.6838
Similarity to MM272286
| Tanimoto metric | 0.6838 |
|---|---|
| Cosine metric | 0.8123 |
| Dice metric | 0.8122 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328998
Similarity: 0.6786
Similarity to MM328998
| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8091 |
| Dice metric | 0.8085 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+369 more
