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DocumentationIdentifier: MM79187
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79187 |
| SMILES |
C#CC(CCN)NC(C)C
|
| InChIKey |
NQCNEVSBWJVGQP-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78962
Similarity: 0.8764
Similarity to MM78962
| Tanimoto metric | 0.8764 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9341 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79867
Similarity: 0.7979
Similarity to MM79867
| Tanimoto metric | 0.7979 |
|---|---|
| Cosine metric | 0.8888 |
| Dice metric | 0.8876 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149808
Similarity: 0.764
Similarity to MM149808
| Tanimoto metric | 0.764 |
|---|---|
| Cosine metric | 0.8741 |
| Dice metric | 0.8662 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+485 more
