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DocumentationIdentifier: MM91765
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91765 |
| SMILES |
CNC(=O)COC=CC=O
|
| InChIKey |
AWYNUQHURXPEFE-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48839
Similarity: 0.8901
Similarity to MM48839
| Tanimoto metric | 0.8901 |
|---|---|
| Cosine metric | 0.9435 |
| Dice metric | 0.9419 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368981
Similarity: 0.8384
Similarity to MM368981
| Tanimoto metric | 0.8384 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9121 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368979
Similarity: 0.7941
Similarity to MM368979
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8852 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+251 more
