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DocumentationIdentifier: MM383748
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383748 |
| SMILES |
C=CC(=CC=O)N(C)C=O
|
| InChIKey |
YPXAAGHDCWGLLA-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175361
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Similarity to MM175361
| Tanimoto metric | 0.7252 |
|---|---|
| Cosine metric | 0.8516 |
| Dice metric | 0.8407 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51984
Similarity: 0.6947
Similarity to MM51984
| Tanimoto metric | 0.6947 |
|---|---|
| Cosine metric | 0.8335 |
| Dice metric | 0.8198 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383669
Similarity: 0.6335
Similarity to MM383669
| Tanimoto metric | 0.6335 |
|---|---|
| Cosine metric | 0.7757 |
| Dice metric | 0.7757 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
