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DocumentationIdentifier: MM335181
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM335181 |
| SMILES |
CCCC(C)CCC(N)=O
|
| InChIKey |
SIMJIIQYIHXPJG-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.69
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: 0.9041
Similarity to MM346057
| Tanimoto metric | 0.9041 |
|---|---|
| Cosine metric | 0.9508 |
| Dice metric | 0.9496 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM335279
Similarity: 0.8571
Similarity to MM335279
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9233 |
| Dice metric | 0.9231 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306313
Similarity: 0.825
Similarity to MM306313
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.9041 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+467 more
