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DocumentationIdentifier: MM215275
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM215275 |
| SMILES |
CC=CCC=CCOC
|
| InChIKey |
SYNIVAODVLCCIY-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.16
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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MM126635
Similarity: 0.9111
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| Tanimoto metric | 0.9111 |
|---|---|
| Cosine metric | 0.9545 |
| Dice metric | 0.9535 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM456373
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| Tanimoto metric | 0.8491 |
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| Cosine metric | 0.9214 |
| Dice metric | 0.9184 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM214806
Similarity: 0.7736
Similarity to MM214806
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8731 |
| Dice metric | 0.8723 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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