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DocumentationIdentifier: MM387370
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387370 |
| SMILES |
C=CCC=C(C=O)C=CC
|
| InChIKey |
XUXQJWUERKYGQP-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
MM404852
Similarity: 0.8372
Similarity to MM404852
| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.9126 |
| Dice metric | 0.9114 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201883
Similarity: 0.8193
Similarity to MM201883
| Tanimoto metric | 0.8193 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9007 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201885
Similarity: 0.7011
Similarity to MM201885
| Tanimoto metric | 0.7011 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8243 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+623 more
