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DocumentationIdentifier: MM350473
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350473 |
| SMILES |
CNC(C)C(=N)NCC#N
|
| InChIKey |
YBHWGGVVOMLYLD-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350191
Similarity: 0.7206
Similarity to MM350191
| Tanimoto metric | 0.7206 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8376 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350189
Similarity: 0.708
Similarity to MM350189
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8291 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350471
Similarity: 0.6599
Similarity to MM350471
| Tanimoto metric | 0.6599 |
|---|---|
| Cosine metric | 0.7951 |
| Dice metric | 0.7951 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+193 more
