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DocumentationIdentifier: MM340539
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340539 |
| SMILES |
COC(CO)CNC(C)=O
|
| InChIKey |
JSOUWVXQYCFXCV-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43703
Similarity: 0.7542
Similarity to MM43703
| Tanimoto metric | 0.7542 |
|---|---|
| Cosine metric | 0.8685 |
| Dice metric | 0.8599 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144293
Similarity: 0.7373
Similarity to MM144293
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198668
Similarity: 0.7288
Similarity to MM198668
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8431 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+191 more
