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DocumentationIdentifier: MM75833
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75833 |
| SMILES |
C=C(C)NC(=N)COC=O
|
| InChIKey |
BMQWEOHLOBIGRC-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM89149
Similarity: 0.8182
Similarity to MM89149
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263142
Similarity: 0.6556
Similarity to MM263142
| Tanimoto metric | 0.6556 |
|---|---|
| Cosine metric | 0.7924 |
| Dice metric | 0.792 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104581
Similarity: 0.6364
Similarity to MM104581
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7977 |
| Dice metric | 0.7778 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
