Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM213830
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM213830 |
| SMILES |
C=CC=CCCNC=N
|
| InChIKey |
MYRZYBLWDCCSIW-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM452066
Similarity: 0.9048
Similarity to MM452066
| Tanimoto metric | 0.9048 |
|---|---|
| Cosine metric | 0.9512 |
| Dice metric | 0.95 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125827
Similarity: 0.8246
Similarity to MM125827
| Tanimoto metric | 0.8246 |
|---|---|
| Cosine metric | 0.9081 |
| Dice metric | 0.9038 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213757
Similarity: 0.7581
Similarity to MM213757
| Tanimoto metric | 0.7581 |
|---|---|
| Cosine metric | 0.8633 |
| Dice metric | 0.8624 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
