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DocumentationIdentifier: MM317443
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317443 |
| SMILES |
CCCC(NC=O)C(C)C
|
| InChIKey |
JTSWTUBUGKGNEI-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM316095
Similarity: 0.7423
Similarity to MM316095
| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8521 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316696
Similarity: 0.7312
Similarity to MM316696
| Tanimoto metric | 0.7312 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8447 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317878
Similarity: 0.6964
Similarity to MM317878
| Tanimoto metric | 0.6964 |
|---|---|
| Cosine metric | 0.8227 |
| Dice metric | 0.8211 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+453 more
