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DocumentationIdentifier: MM425281
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM425281 |
| SMILES |
CC=Cc1ccc(C)cc1
|
| InChIKey |
LSMSSYSRCUNIFX-UHFFFAOYSA-N
|
| MW [Da] |
132.21
Automatically obtained from RDkit software. |
| LogP |
3.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM454782
Similarity: 0.7525
Similarity to MM454782
| Tanimoto metric | 0.7525 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8588 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
(E)-3-phenylprop-2-enal
Similarity: 0.7304
Similarity to (E)-3-phenylprop-2-enal
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8442 |
| Dice metric | 0.8442 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
Cinnamyl Alcohol
Similarity: 0.7241
Similarity to Cinnamyl Alcohol
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.84 |
| Dice metric | 0.84 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+24 more
