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DocumentationIdentifier: MM89172
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89172 |
| SMILES |
C=CC(CNC)C(C)CN
|
| InChIKey |
AAVOYIRIYZZSDM-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM89679
Similarity: 0.8889
Similarity to MM89679
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9412 |
| Dice metric | 0.9412 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89102
Similarity: 0.8488
Similarity to MM89102
| Tanimoto metric | 0.8488 |
|---|---|
| Cosine metric | 0.9213 |
| Dice metric | 0.9182 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179702
Similarity: 0.8256
Similarity to MM179702
| Tanimoto metric | 0.8256 |
|---|---|
| Cosine metric | 0.9086 |
| Dice metric | 0.9045 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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