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DocumentationIdentifier: MM450587
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM450587 |
| SMILES |
CCC(=CN(C)C)C(C)=O
|
| InChIKey |
URQPHIGVFOAROX-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM68257
Similarity: 0.7903
Similarity to MM68257
| Tanimoto metric | 0.7903 |
|---|---|
| Cosine metric | 0.8829 |
| Dice metric | 0.8829 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76505
Similarity: 0.7344
Similarity to MM76505
| Tanimoto metric | 0.7344 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8468 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76076
Similarity: 0.6912
Similarity to MM76076
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.8174 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+521 more
