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DocumentationIdentifier: MM283409
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM283409 |
| SMILES |
C=CC(=O)C1NC1CCO
|
| InChIKey |
VPDSAFDIGVRSRI-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.54
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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MM410657
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Similarity to MM410657
| Tanimoto metric | 0.819 |
|---|---|
| Cosine metric | 0.905 |
| Dice metric | 0.9005 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM404853
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| Tanimoto metric | 0.7184 |
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| Cosine metric | 0.8361 |
| Dice metric | 0.8361 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM429359
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| Tanimoto metric | 0.6762 |
|---|---|
| Cosine metric | 0.8223 |
| Dice metric | 0.8068 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+106 more
