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DocumentationIdentifier: MM261700
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261700 |
| SMILES |
CC(CN(C)C=O)OC=O
|
| InChIKey |
ITWCSFBBSZPLLI-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM166176
Similarity: 0.6226
Similarity to MM166176
| Tanimoto metric | 0.6226 |
|---|---|
| Cosine metric | 0.7891 |
| Dice metric | 0.7674 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6107 |
|---|---|
| Cosine metric | 0.7583 |
| Dice metric | 0.7583 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM250772
Similarity: 0.5852
Similarity to MM250772
| Tanimoto metric | 0.5852 |
|---|---|
| Cosine metric | 0.7384 |
| Dice metric | 0.7383 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+18 more
