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DocumentationIdentifier: MM85717
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM85717 |
| SMILES |
C=C(CNC)NC=NCC
|
| InChIKey |
FOKHFCWTQSTZHX-UHFFFAOYSA-N
|
| MW [Da] |
141.22
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
MM373308
Similarity: 0.8022
Similarity to MM373308
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8913 |
| Dice metric | 0.8902 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237231
Similarity: 0.7426
Similarity to MM237231
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8525 |
| Dice metric | 0.8523 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95056
Similarity: 0.7093
Similarity to MM95056
| Tanimoto metric | 0.7093 |
|---|---|
| Cosine metric | 0.8422 |
| Dice metric | 0.8299 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+364 more
