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DocumentationIdentifier: MM454786
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM454786 |
| SMILES |
O=Cc1ccc(C=O)cc1
|
| InChIKey |
KUCOHFSKRZZVRO-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
Benzaldehyde
Similarity: 0.7949
Similarity to Benzaldehyde
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 106.12 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM454702
Similarity: 0.7064
Similarity to MM454702
| Tanimoto metric | 0.7064 |
|---|---|
| Cosine metric | 0.8389 |
| Dice metric | 0.828 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM454784
Similarity: 0.6972
Similarity to MM454784
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8319 |
| Dice metric | 0.8216 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+4 more
