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DocumentationIdentifier: MM378668
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378668 |
| SMILES |
C=CC(=O)C(C=C)CC=O
|
| InChIKey |
NXWMGRFXTPTLGJ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172760
Similarity: 0.7232
Similarity to MM172760
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8394 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378666
Similarity: 0.7097
Similarity to MM378666
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8302 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378240
Similarity: 0.6742
Similarity to MM378240
| Tanimoto metric | 0.6742 |
|---|---|
| Cosine metric | 0.8055 |
| Dice metric | 0.8054 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+139 more
