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DocumentationIdentifier: MM454612
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM454612 |
| SMILES |
CCc1ccc(CF)cc1
|
| InChIKey |
VTMKRSTVFYXWQK-UHFFFAOYSA-N
|
| MW [Da] |
138.19
Automatically obtained from RDkit software. |
| LogP |
2.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
Ethylbenzene
Similarity: 0.5888
Similarity to Ethylbenzene
| Tanimoto metric | 0.5888 |
|---|---|
| Cosine metric | 0.7673 |
| Dice metric | 0.7412 |
| MW: | 106.17 |
||||
|---|---|---|---|---|---|
| PI: | 6
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
4a6
Similarity: 0.5814
Similarity to 4a6
| Tanimoto metric | 0.5814 |
|---|---|
| Cosine metric | 0.7362 |
| Dice metric | 0.7353 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 1
Total active interactions
|
MM454702
Similarity: 0.5357
Similarity to MM454702
| Tanimoto metric | 0.5357 |
|---|---|
| Cosine metric | 0.6977 |
| Dice metric | 0.6977 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+23 more
