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DocumentationIdentifier: MM80514
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80514 |
| SMILES |
CCN=CNC(C)(C)CO
|
| InChIKey |
AEGJZFDTZZHADY-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM85860
Similarity: 0.7831
Similarity to MM85860
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309926
Similarity: 0.7526
Similarity to MM309926
| Tanimoto metric | 0.7526 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8588 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405732
Similarity: 0.7143
Similarity to MM405732
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8351 |
| Dice metric | 0.8333 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+230 more
