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DocumentationIdentifier: MM250606
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250606 |
| SMILES |
CC(CCN)CCC(N)=O
|
| InChIKey |
SDATWFWUJDZVAF-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM346057
Similarity: 0.8919
Similarity to MM346057
| Tanimoto metric | 0.8919 |
|---|---|
| Cosine metric | 0.9444 |
| Dice metric | 0.9429 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306313
Similarity: 0.8608
Similarity to MM306313
| Tanimoto metric | 0.8608 |
|---|---|
| Cosine metric | 0.9252 |
| Dice metric | 0.9252 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85914
Similarity: 0.8537
Similarity to MM85914
| Tanimoto metric | 0.8537 |
|---|---|
| Cosine metric | 0.9214 |
| Dice metric | 0.9211 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+567 more
