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DocumentationIdentifier: MM67584
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67584 |
| SMILES |
CC(C)=CN(C=O)CC=O
|
| InChIKey |
JPEQCIYYMCOHLR-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178277
Similarity: 0.802
Similarity to MM178277
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150668
Similarity: 0.7723
Similarity to MM150668
| Tanimoto metric | 0.7723 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8715 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378269
Similarity: 0.7105
Similarity to MM378269
| Tanimoto metric | 0.7105 |
|---|---|
| Cosine metric | 0.8313 |
| Dice metric | 0.8308 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+246 more
