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DocumentationIdentifier: MM290544
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM290544 |
| SMILES |
C#CC(C#N)NCC#N
|
| InChIKey |
FWPIRMKXUKNQCK-UHFFFAOYSA-N
|
| MW [Da] |
119.13
Automatically obtained from RDkit software. |
| LogP |
-0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54177
Similarity: 0.863
Similarity to MM54177
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.929 |
| Dice metric | 0.9265 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73501
Similarity: 0.8118
Similarity to MM73501
| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.8961 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42645
Similarity: 0.7531
Similarity to MM42645
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8592 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+149 more
