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DocumentationIdentifier: MM223762
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223762 |
| SMILES |
C=C(CN)C(O)C(C)(C)N
|
| InChIKey |
AOEXFKUJTSVJPO-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81632
Similarity: 0.7673
Similarity to MM81632
| Tanimoto metric | 0.7673 |
|---|---|
| Cosine metric | 0.876 |
| Dice metric | 0.8683 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160352
Similarity: 0.7358
Similarity to MM160352
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223763
Similarity: 0.634
Similarity to MM223763
| Tanimoto metric | 0.634 |
|---|---|
| Cosine metric | 0.776 |
| Dice metric | 0.776 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
