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DocumentationIdentifier: MM89102
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89102 |
| SMILES |
C=CC(CCN)CNC
|
| InChIKey |
LXHYYGLWFILGFX-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM90258
Similarity: 0.9125
Similarity to MM90258
| Tanimoto metric | 0.9125 |
|---|---|
| Cosine metric | 0.9552 |
| Dice metric | 0.9542 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89172
Similarity: 0.8488
Similarity to MM89172
| Tanimoto metric | 0.8488 |
|---|---|
| Cosine metric | 0.9213 |
| Dice metric | 0.9182 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386729
Similarity: 0.8295
Similarity to MM386729
| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9108 |
| Dice metric | 0.9068 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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