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DocumentationIdentifier: MM94493
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94493 |
| SMILES |
C=CN(C=N)C(=C)COC
|
| InChIKey |
DTPUUNKCXABDNU-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197475
Similarity: 0.7907
Similarity to MM197475
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8831 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88854
Similarity: 0.6603
Similarity to MM88854
| Tanimoto metric | 0.6603 |
|---|---|
| Cosine metric | 0.7954 |
| Dice metric | 0.7954 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83947
Similarity: 0.6456
Similarity to MM83947
| Tanimoto metric | 0.6456 |
|---|---|
| Cosine metric | 0.7846 |
| Dice metric | 0.7846 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+131 more
