Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM79329
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79329 |
| SMILES |
C=CC=CC(=CCN)CN
|
| InChIKey |
BUYKBZJRQFUOHM-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM79130
Similarity: 0.8182
Similarity to MM79130
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200976
Similarity: 0.8068
Similarity to MM200976
| Tanimoto metric | 0.8068 |
|---|---|
| Cosine metric | 0.8982 |
| Dice metric | 0.8931 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383898
Similarity: 0.7813
Similarity to MM383898
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8776 |
| Dice metric | 0.8772 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+438 more
