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DocumentationIdentifier: MM336482
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM336482 |
| SMILES |
CC(C)N1CC1(C#N)C#N
|
| InChIKey |
HSOSQTFQRNMNFJ-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM147659
Similarity: 0.8616
Similarity to MM147659
| Tanimoto metric | 0.8616 |
|---|---|
| Cosine metric | 0.9282 |
| Dice metric | 0.9257 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433275
Similarity: 0.779
Similarity to MM433275
| Tanimoto metric | 0.779 |
|---|---|
| Cosine metric | 0.8758 |
| Dice metric | 0.8758 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328538
Similarity: 0.774
Similarity to MM328538
| Tanimoto metric | 0.774 |
|---|---|
| Cosine metric | 0.8727 |
| Dice metric | 0.8726 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+63 more
