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DocumentationIdentifier: MM64970
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64970 |
| SMILES |
CCC(C)(CN)OC=O
|
| InChIKey |
XIWOZGYGBPZPCV-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
MM243050
Similarity: 0.7422
Similarity to MM243050
| Tanimoto metric | 0.7422 |
|---|---|
| Cosine metric | 0.8615 |
| Dice metric | 0.852 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64653
Similarity: 0.7252
Similarity to MM64653
| Tanimoto metric | 0.7252 |
|---|---|
| Cosine metric | 0.8516 |
| Dice metric | 0.8407 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69935
Similarity: 0.7069
Similarity to MM69935
| Tanimoto metric | 0.7069 |
|---|---|
| Cosine metric | 0.829 |
| Dice metric | 0.8283 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+208 more
