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DocumentationIdentifier: MM272778
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272778 |
| SMILES |
CC=CC(CN)OC(C)=O
|
| InChIKey |
OGGGEWPUJZBHPV-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178190
Similarity: 0.7087
Similarity to MM178190
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8418 |
| Dice metric | 0.8295 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329783
Similarity: 0.6803
Similarity to MM329783
| Tanimoto metric | 0.6803 |
|---|---|
| Cosine metric | 0.81 |
| Dice metric | 0.8097 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329447
Similarity: 0.6757
Similarity to MM329447
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.8067 |
| Dice metric | 0.8065 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+104 more
