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DocumentationIdentifier: MM358204
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358204 |
| SMILES |
CNC(=N)C(C)C#CCN
|
| InChIKey |
KXECGTZNOKWIPZ-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
MM174631
Similarity: 0.8468
Similarity to MM174631
| Tanimoto metric | 0.8468 |
|---|---|
| Cosine metric | 0.9202 |
| Dice metric | 0.9171 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358202
Similarity: 0.7581
Similarity to MM358202
| Tanimoto metric | 0.7581 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8624 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294036
Similarity: 0.7563
Similarity to MM294036
| 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
|
+318 more
