Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM112656
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112656 |
| SMILES |
NCC(N)CNC=O
|
| InChIKey |
NNHRXONXBNZXQA-UHFFFAOYSA-N
|
| MW [Da] |
117.15
Automatically obtained from RDkit software. |
| LogP |
-1.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97323
Similarity: 0.7647
Similarity to MM97323
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 102.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386009
Similarity: 0.6986
Similarity to MM386009
| Tanimoto metric | 0.6986 |
|---|---|
| Cosine metric | 0.8358 |
| Dice metric | 0.8226 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141713
Similarity: 0.6711
Similarity to MM141713
| Tanimoto metric | 0.6711 |
|---|---|
| Cosine metric | 0.8192 |
| Dice metric | 0.8031 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+352 more
