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DocumentationIdentifier: MM72651
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72651 |
| SMILES |
C=C(CN)CC(C)OC=O
|
| InChIKey |
NXRGVJAISNARPZ-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM272333
Similarity: 0.6712
Similarity to MM272333
| Tanimoto metric | 0.6712 |
|---|---|
| Cosine metric | 0.804 |
| Dice metric | 0.8033 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262060
Similarity: 0.6127
Similarity to MM262060
| Tanimoto metric | 0.6127 |
|---|---|
| Cosine metric | 0.76 |
| Dice metric | 0.7598 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262062
Similarity: 0.5906
Similarity to MM262062
| Tanimoto metric | 0.5906 |
|---|---|
| Cosine metric | 0.7427 |
| Dice metric | 0.7426 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+82 more
