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DocumentationIdentifier: MM282887
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282887 |
| SMILES |
C=C(C#CCC=O)CC=O
|
| InChIKey |
CQGZKMQAPNALLW-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158550
Similarity: 0.9103
Similarity to MM158550
| Tanimoto metric | 0.9103 |
|---|---|
| Cosine metric | 0.9541 |
| Dice metric | 0.953 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170646
Similarity: 0.8462
Similarity to MM170646
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282835
Similarity: 0.8452
Similarity to MM282835
| Tanimoto metric | 0.8452 |
|---|---|
| Cosine metric | 0.9161 |
| Dice metric | 0.9161 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+320 more
