Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM329079
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329079 |
| SMILES |
C#CC(=N)NC(CN)CN
|
| InChIKey |
YXUCZDHBIXJVPB-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-1.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81452
Similarity: 0.9271
Similarity to MM81452
| Tanimoto metric | 0.9271 |
|---|---|
| Cosine metric | 0.9629 |
| Dice metric | 0.9622 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76290
Similarity: 0.7739
Similarity to MM76290
| Tanimoto metric | 0.7739 |
|---|---|
| Cosine metric | 0.8741 |
| Dice metric | 0.8725 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226926
Similarity: 0.7692
Similarity to MM226926
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8719 |
| Dice metric | 0.8696 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+397 more
