Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM174844
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174844 |
| SMILES |
C#CCN(C)C(C)=NC
|
| InChIKey |
QBBSTVVDMOPSJC-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM62519
Similarity: 0.7109
Similarity to MM62519
| Tanimoto metric | 0.7109 |
|---|---|
| Cosine metric | 0.8432 |
| Dice metric | 0.8311 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112226
Similarity: 0.6923
Similarity to MM112226
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95067
Similarity: 0.6703
Similarity to MM95067
| Tanimoto metric | 0.6703 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8026 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+424 more
