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DocumentationIdentifier: MM261873
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261873 |
| SMILES |
CNC(=O)CC(C)CCN
|
| InChIKey |
WYSJRVZYQCKIRX-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM313474
Similarity: 0.8723
Similarity to MM313474
| Tanimoto metric | 0.8723 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9318 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236570
Similarity: 0.8542
Similarity to MM236570
| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9213 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM314760
Similarity: 0.82
Similarity to MM314760
| Tanimoto metric | 0.82 |
|---|---|
| Cosine metric | 0.9016 |
| Dice metric | 0.9011 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+719 more
