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DocumentationIdentifier: MM423990
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM423990 |
| SMILES |
CCC(CC)=C(C)C=CF
|
| InChIKey |
YHJISXLEDIQJAX-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
3.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM175967
Similarity: 0.878
Similarity to MM175967
| Tanimoto metric | 0.878 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9351 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM424170
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| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8488 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 3.38 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM297251
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| Tanimoto metric | 0.7347 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8471 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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