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DocumentationIdentifier: MM97091
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97091 |
| SMILES |
CC(C)(C)NC=N
|
| InChIKey |
SMRGCMLEAAXFFD-UHFFFAOYSA-N
|
| MW [Da] |
100.17
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM102811
Similarity: 0.75
Similarity to MM102811
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102589
Similarity: 0.6735
Similarity to MM102589
| Tanimoto metric | 0.6735 |
|---|---|
| Cosine metric | 0.8207 |
| Dice metric | 0.8049 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102451
Similarity: 0.66
Similarity to MM102451
| Tanimoto metric | 0.66 |
|---|---|
| Cosine metric | 0.8124 |
| Dice metric | 0.7952 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+193 more
