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DocumentationIdentifier: MM373529
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM373529 |
| SMILES |
C=COC=CCC(=C)CO
|
| InChIKey |
XFWWNYQDKZGUCR-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM373139
Similarity: 0.8161
Similarity to MM373139
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.8988 |
| Dice metric | 0.8987 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373531
Similarity: 0.7419
Similarity to MM373531
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.8519 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153718
Similarity: 0.7308
Similarity to MM153718
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8444 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+239 more
