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DocumentationIdentifier: MM366370
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM366370 |
| SMILES |
C=CC(=O)C=CC=CC=O
|
| InChIKey |
PNTZBARDQLYWIK-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.05
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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MM366314
Similarity: 0.9375
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| Tanimoto metric | 0.9375 |
|---|---|
| Cosine metric | 0.9677 |
| Dice metric | 0.9677 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9672 |
| Dice metric | 0.9667 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM282466
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| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.9509 |
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| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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