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DocumentationIdentifier: MM232373
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232373 |
| SMILES |
C=CCCCNC(C)(C)C
|
| InChIKey |
HXZFARYBOKVKCX-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.34
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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MM152588
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| Tanimoto metric | 0.8448 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9159 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7931 |
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| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.17 |
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|---|---|---|---|---|---|
| AI: | 0
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MM287340
Similarity: 0.7313
Similarity to MM287340
| Tanimoto metric | 0.7313 |
|---|---|
| Cosine metric | 0.8448 |
| Dice metric | 0.8448 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+482 more
