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DocumentationIdentifier: MM284622
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284622 |
| SMILES |
CCNCC=C(C)COC
|
| InChIKey |
WGCQGDROKRXHMB-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.19
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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MM73687
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| Tanimoto metric | 0.8902 |
|---|---|
| Cosine metric | 0.9435 |
| Dice metric | 0.9419 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM170981
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| Cosine metric | 0.8765 |
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| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM436142
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Similarity to MM436142
| Tanimoto metric | 0.7079 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8289 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+334 more
