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DocumentationIdentifier: MM293427
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293427 |
| SMILES |
C=CCC(C)C(=C)CC=O
|
| InChIKey |
AKOZFDSSJDNUAC-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173047
Similarity: 0.7708
Similarity to MM173047
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262783
Similarity: 0.7429
Similarity to MM262783
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8535 |
| Dice metric | 0.8525 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292919
Similarity: 0.729
Similarity to MM292919
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8438 |
| Dice metric | 0.8432 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+281 more
