Ethylbenzene
2D Structure
3D Structure
Source:
General | |
Identifier | MM00861 |
SMILES |
CCc1ccccc1
|
InChIKey |
YNQLUTRBYVCPMQ-UHFFFAOYSA-N
|
MW [Da] |
106.17
Automatically obtained from RDkit software. |
LogP |
2.25
Automatically obtained from RDkit software. |
Links | |
PubChem |
7500
|
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
2-Phenylethanol
Similarity: 0.7412
Similarity to 2-Phenylethanol
Tanimoto metric | 0.7412 |
---|---|
Cosine metric | 0.8609 |
Dice metric | 0.8514 |
MW: | 122.17 |
||||
---|---|---|---|---|---|
PI: | 7
Total passive interactions
|
LogP: | 1.22 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
4a6
Similarity: 0.6495
Similarity to 4a6
Tanimoto metric | 0.6495 |
---|---|
Cosine metric | 0.8059 |
Dice metric | 0.7875 |
MW: | 134.22 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 3.12 |
||||
---|---|---|---|---|---|
AI: | 1
Total active interactions
|
Phenelzine
Similarity: 0.6238
Similarity to Phenelzine
Tanimoto metric | 0.6238 |
---|---|
Cosine metric | 0.7898 |
Dice metric | 0.7683 |
MW: | 136.2 |
||||
---|---|---|---|---|---|
PI: | 8
Total passive interactions
|
LogP: | 0.69 |
||||
---|---|---|---|---|---|
AI: | 2
Total active interactions
|
+27 more