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DocumentationIdentifier: MM304910
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304910 |
| SMILES |
C=CC=CCC(=C)C(C)=O
|
| InChIKey |
SUUWMTQJXPWLOG-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163000
Similarity: 0.8571
Similarity to MM163000
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304912
Similarity: 0.7636
Similarity to MM304912
| Tanimoto metric | 0.7636 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.866 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354096
Similarity: 0.7544
Similarity to MM354096
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.86 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+223 more
