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DocumentationIdentifier: MM274440
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274440 |
| SMILES |
CC(O)C=C(C=O)NC=O
|
| InChIKey |
DPBVASVOWWMGOT-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179213
Similarity: 0.6978
Similarity to MM179213
| Tanimoto metric | 0.6978 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.822 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51956
Similarity: 0.6691
Similarity to MM51956
| Tanimoto metric | 0.6691 |
|---|---|
| Cosine metric | 0.818 |
| Dice metric | 0.8017 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267376
Similarity: 0.6196
Similarity to MM267376
| Tanimoto metric | 0.6196 |
|---|---|
| Cosine metric | 0.7662 |
| Dice metric | 0.7652 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+60 more
