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DocumentationIdentifier: MM386470
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386470 |
| SMILES |
CCC(CC#N)NCC#N
|
| InChIKey |
HHRQNQLJOREPPU-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155981
Similarity: 0.8182
Similarity to MM155981
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198709
Similarity: 0.7403
Similarity to MM198709
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8604 |
| Dice metric | 0.8507 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261674
Similarity: 0.6848
Similarity to MM261674
| Tanimoto metric | 0.6848 |
|---|---|
| Cosine metric | 0.8129 |
| Dice metric | 0.8129 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
