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DocumentationIdentifier: MM264754
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264754 |
| SMILES |
C#CC(=N)NC(C)C#CC
|
| InChIKey |
VRHVHIBSIVHFMI-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM264824
Similarity: 0.8053
Similarity to MM264824
| Tanimoto metric | 0.8053 |
|---|---|
| Cosine metric | 0.8925 |
| Dice metric | 0.8922 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142513
Similarity: 0.7714
Similarity to MM142513
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237705
Similarity: 0.7311
Similarity to MM237705
| Tanimoto metric | 0.7311 |
|---|---|
| Cosine metric | 0.8448 |
| Dice metric | 0.8447 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+329 more
