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DocumentationIdentifier: MM28081
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28081 |
| SMILES |
CC(C#N)NC(C)(C)C#N
|
| InChIKey |
IOBRUXHHKITUJO-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
MM220679
Similarity: 0.9394
Similarity to MM220679
| Tanimoto metric | 0.9394 |
|---|---|
| Cosine metric | 0.9692 |
| Dice metric | 0.9688 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138453
Similarity: 0.9242
Similarity to MM138453
| Tanimoto metric | 0.9242 |
|---|---|
| Cosine metric | 0.9614 |
| Dice metric | 0.9606 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130692
Similarity: 0.9091
Similarity to MM130692
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+336 more
