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DocumentationIdentifier: MM404881
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404881 |
| SMILES |
C=CC(CC)CN=CNC
|
| InChIKey |
DOBPKMFMYGRMHV-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM372887
Similarity: 0.66
Similarity to MM372887
| Tanimoto metric | 0.66 |
|---|---|
| Cosine metric | 0.798 |
| Dice metric | 0.7952 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM372537
Similarity: 0.65
Similarity to MM372537
| Tanimoto metric | 0.65 |
|---|---|
| Cosine metric | 0.7912 |
| Dice metric | 0.7879 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239996
Similarity: 0.6078
Similarity to MM239996
| Tanimoto metric | 0.6078 |
|---|---|
| Cosine metric | 0.7597 |
| Dice metric | 0.7561 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+151 more
