Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM454702
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM454702 |
| SMILES |
CCc1ccc(C=O)cc1
|
| InChIKey |
QNGNSVIICDLXHT-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
2.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM454786
Similarity: 0.7064
Similarity to MM454786
| Tanimoto metric | 0.7064 |
|---|---|
| Cosine metric | 0.8389 |
| Dice metric | 0.828 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
1-phenylethanone
Similarity: 0.6875
Similarity to 1-phenylethanone
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8148 |
| Dice metric | 0.8148 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 6
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
4a6
Similarity: 0.5891
Similarity to 4a6
| Tanimoto metric | 0.5891 |
|---|---|
| Cosine metric | 0.7425 |
| Dice metric | 0.7415 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 1
Total active interactions
|
+24 more
