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DocumentationIdentifier: MM28635
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28635 |
| SMILES |
CC(C#N)N(C)CC#N
|
| InChIKey |
SXEYRICHVMAOOG-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM33059
Similarity: 0.9275
Similarity to MM33059
| Tanimoto metric | 0.9275 |
|---|---|
| Cosine metric | 0.9631 |
| Dice metric | 0.9624 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45519
Similarity: 0.8438
Similarity to MM45519
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33000
Similarity: 0.7391
Similarity to MM33000
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.85 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+234 more
