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DocumentationIdentifier: MM453411
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM453411 |
| SMILES |
CCC(=O)C1N(C)C1(C)C
|
| InChIKey |
SITRKSQAZADQJA-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM395301
Similarity: 0.8134
Similarity to MM395301
| Tanimoto metric | 0.8134 |
|---|---|
| Cosine metric | 0.9019 |
| Dice metric | 0.8971 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM454109
Similarity: 0.7276
Similarity to MM454109
| Tanimoto metric | 0.7276 |
|---|---|
| Cosine metric | 0.853 |
| Dice metric | 0.8423 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM396422
Similarity: 0.7003
Similarity to MM396422
| Tanimoto metric | 0.7003 |
|---|---|
| Cosine metric | 0.8253 |
| Dice metric | 0.8238 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+37 more
