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DocumentationIdentifier: MM350879
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350879 |
| SMILES |
C=CC(=O)N(C)C(=C)C=O
|
| InChIKey |
HTKRGZLFRPWSEE-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160702
Similarity: 0.7532
Similarity to MM160702
| Tanimoto metric | 0.7532 |
|---|---|
| Cosine metric | 0.8679 |
| Dice metric | 0.8593 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160708
Similarity: 0.7468
Similarity to MM160708
| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.855 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94800
Similarity: 0.7024
Similarity to MM94800
| Tanimoto metric | 0.7024 |
|---|---|
| Cosine metric | 0.8276 |
| Dice metric | 0.8252 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+48 more
