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DocumentationIdentifier: MM73501
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73501 |
| SMILES |
C#CC(C)NC(C#C)C#N
|
| InChIKey |
KGEDLTCRFNPEGL-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42645
Similarity: 0.8519
Similarity to MM42645
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290544
Similarity: 0.8118
Similarity to MM290544
| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.8961 |
| MW: | 119.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328326
Similarity: 0.7841
Similarity to MM328326
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.879 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+177 more
