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DocumentationIdentifier: MM279274
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279274 |
| SMILES |
CC(C)C(CCO)NC=O
|
| InChIKey |
QLSDQMQJTBBGJO-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM316696
Similarity: 0.6733
Similarity to MM316696
| Tanimoto metric | 0.6733 |
|---|---|
| Cosine metric | 0.8137 |
| Dice metric | 0.8047 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107217
Similarity: 0.5979
Similarity to MM107217
| Tanimoto metric | 0.5979 |
|---|---|
| Cosine metric | 0.7733 |
| Dice metric | 0.7484 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317443
Similarity: 0.5897
Similarity to MM317443
| Tanimoto metric | 0.5897 |
|---|---|
| Cosine metric | 0.7426 |
| Dice metric | 0.7419 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+289 more
