Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM125689
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM125689 |
| SMILES |
O=CNCCNC=O
|
| InChIKey |
NBNDPGGJEJRDBJ-UHFFFAOYSA-N
|
| MW [Da] |
116.12
Automatically obtained from RDkit software. |
| LogP |
-1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM100669
Similarity: 0.9333
Similarity to MM100669
| Tanimoto metric | 0.9333 |
|---|---|
| Cosine metric | 0.9661 |
| Dice metric | 0.9655 |
| MW: | 102.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54287
Similarity: 0.8
Similarity to MM54287
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 88.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125592
Similarity: 0.7368
Similarity to MM125592
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8485 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+82 more
