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DocumentationIdentifier: MM163179
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163179 |
| SMILES |
CC(C=CC=O)N(C)C
|
| InChIKey |
HFYYSXPDTZICPV-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM69692
Similarity: 0.7838
Similarity to MM69692
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8788 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355374
Similarity: 0.7789
Similarity to MM355374
| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8757 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235414
Similarity: 0.74
Similarity to MM235414
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8506 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+451 more
