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DocumentationIdentifier: MM155690
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155690 |
| SMILES |
CCCNC(C)CCC
|
| InChIKey |
OXTYFLOKCZIREK-UHFFFAOYSA-N
|
| MW [Da] |
129.25
Automatically obtained from RDkit software. |
| LogP |
2.17
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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MM107173
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| Tanimoto metric | 0.9216 |
|---|---|
| Cosine metric | 0.96 |
| Dice metric | 0.9592 |
| MW: | 115.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM261280
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Similarity to MM261280
| Tanimoto metric | 0.9107 |
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| Cosine metric | 0.9543 |
| Dice metric | 0.9533 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.56 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM135086
Similarity: 0.875
Similarity to MM135086
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9337 |
| Dice metric | 0.9333 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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