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DocumentationIdentifier: MM255757
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM255757 |
| SMILES |
CC(C#CC(=N)N)C(=N)N
|
| InChIKey |
PDPOXVJUPDCKMS-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163553
Similarity: 0.82
Similarity to MM163553
| Tanimoto metric | 0.82 |
|---|---|
| Cosine metric | 0.9055 |
| Dice metric | 0.9011 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145977
Similarity: 0.76
Similarity to MM145977
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM344906
Similarity: 0.717
Similarity to MM344906
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8393 |
| Dice metric | 0.8352 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
