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DocumentationBenzaldehyde
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00837 |
| SMILES |
O=Cc1ccccc1
|
| InChIKey |
HUMNYLRZRPPJDN-UHFFFAOYSA-N
|
| MW [Da] |
106.12
Automatically obtained from RDkit software. |
| LogP |
1.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
240
|
|
DrugBank |
N/A |
|
ChEBI |
CHEBI:17169
|
|
PDB |
N/A |
|
ChEMBL |
CHEMBL15972
|
Similar entries
MM454786
Similarity: 0.7949
Similarity to MM454786
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM454784
Similarity: 0.5794
Similarity to MM454784
| Tanimoto metric | 0.5794 |
|---|---|
| Cosine metric | 0.7612 |
| Dice metric | 0.7337 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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1-phenylethanone
Similarity: 0.5741
Similarity to 1-phenylethanone
| Tanimoto metric | 0.5741 |
|---|---|
| Cosine metric | 0.7577 |
| Dice metric | 0.7294 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 6
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+4 more
