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DocumentationIdentifier: MM72442
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72442 |
| SMILES |
C=CC(C=CCN)OC=O
|
| InChIKey |
HGRWUGZEVPLPJY-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM72212
Similarity: 0.8211
Similarity to MM72212
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9017 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107561
Similarity: 0.6211
Similarity to MM107561
| Tanimoto metric | 0.6211 |
|---|---|
| Cosine metric | 0.7881 |
| Dice metric | 0.7662 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157801
Similarity: 0.5566
Similarity to MM157801
| Tanimoto metric | 0.5566 |
|---|---|
| Cosine metric | 0.7235 |
| Dice metric | 0.7152 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+127 more
