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DocumentationIdentifier: MM78815
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78815 |
| SMILES |
CC(C)(CCCN)C(N)=O
|
| InChIKey |
RHCWRIBYJCKHLR-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
MM334712
Similarity: 0.8542
Similarity to MM334712
| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9213 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298389
Similarity: 0.8113
Similarity to MM298389
| Tanimoto metric | 0.8113 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8958 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339460
Similarity: 0.7925
Similarity to MM339460
| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8842 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+495 more
