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DocumentationIdentifier: MM264546
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264546 |
| SMILES |
C=CC(=O)CC(=O)C=CC
|
| InChIKey |
GPCAQSUVTOMDDZ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM264430
Similarity: 0.75
Similarity to MM264430
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8571 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60040
Similarity: 0.7426
Similarity to MM60040
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8523 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237619
Similarity: 0.7282
Similarity to MM237619
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8461 |
| Dice metric | 0.8427 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
