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DocumentationIdentifier: MM74652
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM74652 |
| SMILES |
CC(OC=O)C(C)(C)N
|
| InChIKey |
SGENNRAWBLQTBO-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM231976
Similarity: 0.771
Similarity to MM231976
| Tanimoto metric | 0.771 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.8707 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222420
Similarity: 0.7426
Similarity to MM222420
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8618 |
| Dice metric | 0.8523 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68784
Similarity: 0.7228
Similarity to MM68784
| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.8391 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
