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DocumentationIdentifier: MM89089
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89089 |
| SMILES |
C=CN(CC)C(=N)CNC
|
| InChIKey |
NAXNLWQWIJZVDZ-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM89113
Similarity: 0.7667
Similarity to MM89113
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8702 |
| Dice metric | 0.8679 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173336
Similarity: 0.7236
Similarity to MM173336
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8506 |
| Dice metric | 0.8396 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393360
Similarity: 0.6835
Similarity to MM393360
| Tanimoto metric | 0.6835 |
|---|---|
| Cosine metric | 0.813 |
| Dice metric | 0.812 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+226 more
