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DocumentationIdentifier: MM270606
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM270606 |
| SMILES |
C=CC(=O)C(C)=CC(=C)C
|
| InChIKey |
VBEPKNVYKCAFBC-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 |
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MM134326
Similarity: 0.768
Similarity to MM134326
| Tanimoto metric | 0.768 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8688 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM270548
Similarity: 0.7361
Similarity to MM270548
| Tanimoto metric | 0.7361 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.848 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM300864
Similarity: 0.7343
Similarity to MM300864
| Tanimoto metric | 0.7343 |
|---|---|
| Cosine metric | 0.8468 |
| Dice metric | 0.8468 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+308 more
