Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM82819
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82819 |
| SMILES |
C=C(CN)CC(=C)CNC
|
| InChIKey |
XCBUSJUVTACXSA-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78289
Similarity: 0.9268
Similarity to MM78289
| Tanimoto metric | 0.9268 |
|---|---|
| Cosine metric | 0.9627 |
| Dice metric | 0.962 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80048
Similarity: 0.7755
Similarity to MM80048
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8736 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223264
Similarity: 0.76
Similarity to MM223264
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8657 |
| Dice metric | 0.8636 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+281 more
