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DocumentationIdentifier: MM386140
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386140 |
| SMILES |
C=CC(=CNC=O)OCC
|
| InChIKey |
LBMKFGFDANMUFN-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201765
Similarity: 0.8036
Similarity to MM201765
| Tanimoto metric | 0.8036 |
|---|---|
| Cosine metric | 0.8964 |
| Dice metric | 0.8911 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159516
Similarity: 0.7143
Similarity to MM159516
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386362
Similarity: 0.7023
Similarity to MM386362
| Tanimoto metric | 0.7023 |
|---|---|
| Cosine metric | 0.8251 |
| Dice metric | 0.8251 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+193 more
