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DocumentationIdentifier: MM301746
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301746 |
| SMILES |
CNC(=O)C(C)=CCOC
|
| InChIKey |
WAGMGBJWRGZOFC-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM274410
Similarity: 0.7161
Similarity to MM274410
| Tanimoto metric | 0.7161 |
|---|---|
| Cosine metric | 0.8346 |
| Dice metric | 0.8346 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384421
Similarity: 0.7
Similarity to MM384421
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8239 |
| Dice metric | 0.8235 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255939
Similarity: 0.6871
Similarity to MM255939
| Tanimoto metric | 0.6871 |
|---|---|
| Cosine metric | 0.8152 |
| Dice metric | 0.8145 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+349 more
