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DocumentationIdentifier: MM138529
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138529 |
| SMILES |
C#CC(C)(C)NCC#N
|
| InChIKey |
UIJZIRLFKCOPHP-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM37775
Similarity: 0.8452
Similarity to MM37775
| Tanimoto metric | 0.8452 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9161 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112979
Similarity: 0.7465
Similarity to MM112979
| Tanimoto metric | 0.7465 |
|---|---|
| Cosine metric | 0.864 |
| Dice metric | 0.8548 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103126
Similarity: 0.7465
Similarity to MM103126
| Tanimoto metric | 0.7465 |
|---|---|
| Cosine metric | 0.864 |
| Dice metric | 0.8548 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+499 more
