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DocumentationIdentifier: MM313595
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313595 |
| SMILES |
CCCCC(C)(C)NC=O
|
| InChIKey |
SQNFLOHKJCKMNY-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM311915
Similarity: 0.8315
Similarity to MM311915
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.908 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318261
Similarity: 0.7579
Similarity to MM318261
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8623 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78714
Similarity: 0.7549
Similarity to MM78714
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8603 |
| Dice metric | 0.8603 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+397 more
