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2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00905 |
| SMILES |
C=Cc1ccccc1
|
| InChIKey |
PPBRXRYQALVLMV-UHFFFAOYSA-N
|
| MW [Da] |
104.15
Automatically obtained from RDkit software. |
| LogP |
2.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
7501
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM454782
Similarity: 0.8077
Similarity to MM454782
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM425281
Similarity: 0.6364
Similarity to MM425281
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7977 |
| Dice metric | 0.7778 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
(E)-3-phenylprop-2-enal
Similarity: 0.63
Similarity to (E)-3-phenylprop-2-enal
| Tanimoto metric | 0.63 |
|---|---|
| Cosine metric | 0.7937 |
| Dice metric | 0.773 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+10 more
