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DocumentationIdentifier: MM396105
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM396105 |
| SMILES |
CCC(C#CCN)N(C)C
|
| InChIKey |
CDJXVGFWFBRCDY-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305894
Similarity: 0.7373
Similarity to MM305894
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8488 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61274
Similarity: 0.6768
Similarity to MM61274
| Tanimoto metric | 0.6768 |
|---|---|
| Cosine metric | 0.8227 |
| Dice metric | 0.8072 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM396107
Similarity: 0.6748
Similarity to MM396107
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8064 |
| Dice metric | 0.8058 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+690 more
