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DocumentationIdentifier: MM425888
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM425888 |
| SMILES |
CC1CC1CCN(C)C=O
|
| InChIKey |
NHWIUHPKFUDBRJ-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM209011
Similarity: 0.7714
Similarity to MM209011
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM311888
Similarity: 0.735
Similarity to MM311888
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8473 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325140
Similarity: 0.7311
Similarity to MM325140
| Tanimoto metric | 0.7311 |
|---|---|
| Cosine metric | 0.8448 |
| Dice metric | 0.8447 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+31 more
