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DocumentationIdentifier: MM33119
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM33119 |
| SMILES |
C=C(C)CC(=C)C=O
|
| InChIKey |
PRWQSPOWLSGJMH-UHFFFAOYSA-N
|
| MW [Da] |
110.16
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM36512
Similarity: 0.7586
Similarity to MM36512
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8627 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142676
Similarity: 0.75
Similarity to MM142676
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26494
Similarity: 0.7407
Similarity to MM26494
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8511 |
| MW: | 98.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+472 more
