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DocumentationIdentifier: MM304204
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304204 |
| SMILES |
C=CC=C(COC)NC=O
|
| InChIKey |
XYDKCBBJJAYOBX-UHFFFAOYSA-N
|
| MW [Da] |
141.17
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
MM178543
Similarity: 0.8
Similarity to MM178543
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304089
Similarity: 0.6809
Similarity to MM304089
| Tanimoto metric | 0.6809 |
|---|---|
| Cosine metric | 0.8102 |
| Dice metric | 0.8101 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304091
Similarity: 0.6599
Similarity to MM304091
| Tanimoto metric | 0.6599 |
|---|---|
| Cosine metric | 0.7952 |
| Dice metric | 0.7951 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+153 more
