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DocumentationIdentifier: MM198980
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198980 |
| SMILES |
CCC(C#N)NCC#N
|
| InChIKey |
UOQOPGNTGKVSBI-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28247
Similarity: 0.9079
Similarity to MM28247
| Tanimoto metric | 0.9079 |
|---|---|
| Cosine metric | 0.9528 |
| Dice metric | 0.9517 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198843
Similarity: 0.84
Similarity to MM198843
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.913 |
| Dice metric | 0.913 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326761
Similarity: 0.8125
Similarity to MM326761
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8976 |
| Dice metric | 0.8966 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+393 more
