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DocumentationIdentifier: MM100908
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM100908 |
| SMILES |
N=CNC=CCN
|
| InChIKey |
XCEZZPBRKOYVRR-UHFFFAOYSA-N
|
| MW [Da] |
99.14
Automatically obtained from RDkit software. |
| LogP |
-0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126644
Similarity: 0.8222
Similarity to MM126644
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126291
Similarity: 0.7872
Similarity to MM126291
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.881 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114130
Similarity: 0.6981
Similarity to MM114130
| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.8222 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+274 more
