Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM97366
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97366 |
| SMILES |
CNCCC(=N)N
|
| InChIKey |
QBXBWZBIZWFCJA-UHFFFAOYSA-N
|
| MW [Da] |
101.15
Automatically obtained from RDkit software. |
| LogP |
-0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM105623
Similarity: 0.7959
Similarity to MM105623
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8864 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98020
Similarity: 0.766
Similarity to MM98020
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8675 |
| MW: | 101.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM105715
Similarity: 0.7647
Similarity to MM105715
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+180 more
