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DocumentationIdentifier: MM317997
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317997 |
| SMILES |
CCC(CC)C(C)NC=O
|
| InChIKey |
UPGHCMPAMZAQEY-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: 0.9091
Similarity to MM316095
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317878
Similarity: 0.7339
Similarity to MM317878
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8486 |
| Dice metric | 0.8466 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317921
Similarity: 0.7339
Similarity to MM317921
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8486 |
| Dice metric | 0.8466 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+460 more
