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DocumentationIdentifier: MM90258
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90258 |
| SMILES |
C=CC(CCNC)CNC
|
| InChIKey |
GVGXOEJCZANHOD-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM89102
Similarity: 0.9125
Similarity to MM89102
| Tanimoto metric | 0.9125 |
|---|---|
| Cosine metric | 0.9552 |
| Dice metric | 0.9542 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88969
Similarity: 0.85
Similarity to MM88969
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89172
Similarity: 0.8043
Similarity to MM89172
| Tanimoto metric | 0.8043 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8916 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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