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DocumentationIdentifier: MM309647
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309647 |
| SMILES |
CC(C)=C(C)CNC=O
|
| InChIKey |
MUBRSEFDSOZVOJ-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
1.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM306516
Similarity: 0.831
Similarity to MM306516
| Tanimoto metric | 0.831 |
|---|---|
| Cosine metric | 0.9116 |
| Dice metric | 0.9077 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360311
Similarity: 0.759
Similarity to MM360311
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8633 |
| Dice metric | 0.863 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158829
Similarity: 0.7531
Similarity to MM158829
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8592 |
| Dice metric | 0.8592 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+368 more
