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DocumentationIdentifier: MM372887
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372887 |
| SMILES |
C=CNC=NCC(C)C=C
|
| InChIKey |
VBUILGQICSVCLM-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215031
Similarity: 0.7763
Similarity to MM215031
| Tanimoto metric | 0.7763 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.8741 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153593
Similarity: 0.7632
Similarity to MM153593
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8657 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404881
Similarity: 0.66
Similarity to MM404881
| Tanimoto metric | 0.66 |
|---|---|
| Cosine metric | 0.798 |
| Dice metric | 0.7952 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+205 more
