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DocumentationIdentifier: MM264368
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264368 |
| SMILES |
CC=CC(=O)OC(C)C=O
|
| InChIKey |
BHXHJSNBRBXRAE-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135841
Similarity: 0.7315
Similarity to MM135841
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8553 |
| Dice metric | 0.8449 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157339
Similarity: 0.713
Similarity to MM157339
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8324 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227107
Similarity: 0.6769
Similarity to MM227107
| Tanimoto metric | 0.6769 |
|---|---|
| Cosine metric | 0.8074 |
| Dice metric | 0.8073 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+336 more
