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DocumentationIdentifier: MM259166
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM259166 |
| SMILES |
CNC(=O)CN=CN(C)C
|
| InChIKey |
JLUIAFAWKBOXDA-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM58519
Similarity: 0.7442
Similarity to MM58519
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8533 |
| MW: | 115.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162548
Similarity: 0.68
Similarity to MM162548
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.8095 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260019
Similarity: 0.6449
Similarity to MM260019
| Tanimoto metric | 0.6449 |
|---|---|
| Cosine metric | 0.7843 |
| Dice metric | 0.7841 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+17 more
