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DocumentationIdentifier: MM45863
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM45863 |
| SMILES |
C#CC(CC#N)N(C)C
|
| InChIKey |
OVCILKBLEGWKFT-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44943
Similarity: 0.5877
Similarity to MM44943
| Tanimoto metric | 0.5877 |
|---|---|
| Cosine metric | 0.7412 |
| Dice metric | 0.7403 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46677
Similarity: 0.585
Similarity to MM46677
| Tanimoto metric | 0.585 |
|---|---|
| Cosine metric | 0.7649 |
| Dice metric | 0.7382 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77190
Similarity: 0.581
Similarity to MM77190
| Tanimoto metric | 0.581 |
|---|---|
| Cosine metric | 0.7354 |
| Dice metric | 0.7349 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
