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DocumentationIdentifier: MM177235
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177235 |
| SMILES |
CC1(C#N)NC1CC#N
|
| InChIKey |
UOFMCWDISJMKEC-UHFFFAOYSA-N
|
| MW [Da] |
121.14
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM433604
Similarity: 0.8674
Similarity to MM433604
| Tanimoto metric | 0.8674 |
|---|---|
| Cosine metric | 0.9313 |
| Dice metric | 0.929 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328479
Similarity: 0.8307
Similarity to MM328479
| Tanimoto metric | 0.8307 |
|---|---|
| Cosine metric | 0.9114 |
| Dice metric | 0.9075 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM431917
Similarity: 0.7548
Similarity to MM431917
| Tanimoto metric | 0.7548 |
|---|---|
| Cosine metric | 0.8688 |
| Dice metric | 0.8603 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+136 more
