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DocumentationIdentifier: MM294036
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294036 |
| SMILES |
CNCC#CC(C)C(=N)N
|
| InChIKey |
CWOICKDGJGHESP-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163553
Similarity: 0.8367
Similarity to MM163553
| Tanimoto metric | 0.8367 |
|---|---|
| Cosine metric | 0.9147 |
| Dice metric | 0.9111 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358204
Similarity: 0.7563
Similarity to MM358204
| Tanimoto metric | 0.7563 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8612 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255757
Similarity: 0.7069
Similarity to MM255757
| Tanimoto metric | 0.7069 |
|---|---|
| Cosine metric | 0.8283 |
| Dice metric | 0.8283 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+230 more
