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DocumentationIdentifier: MM59042
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59042 |
| SMILES |
CC(C)(CNC=O)OC=O
|
| InChIKey |
FOOVHCWXEWQUMA-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261700
Similarity: 0.6107
Similarity to MM261700
| Tanimoto metric | 0.6107 |
|---|---|
| Cosine metric | 0.7583 |
| Dice metric | 0.7583 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87587
Similarity: 0.5926
Similarity to MM87587
| Tanimoto metric | 0.5926 |
|---|---|
| Cosine metric | 0.7444 |
| Dice metric | 0.7442 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250772
Similarity: 0.5896
Similarity to MM250772
| Tanimoto metric | 0.5896 |
|---|---|
| Cosine metric | 0.7419 |
| Dice metric | 0.7418 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+18 more
