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DocumentationIdentifier: MM259760
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM259760 |
| SMILES |
CC(O)CC=CC(N)CO
|
| InChIKey |
ROBVKMLXMMRVTE-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
-0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM76841
Similarity: 0.8434
Similarity to MM76841
| Tanimoto metric | 0.8434 |
|---|---|
| Cosine metric | 0.9184 |
| Dice metric | 0.915 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM259758
Similarity: 0.766
Similarity to MM259758
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8675 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362932
Similarity: 0.7416
Similarity to MM362932
| Tanimoto metric | 0.7416 |
|---|---|
| Cosine metric | 0.8538 |
| Dice metric | 0.8516 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+539 more
