Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM418437
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM418437 |
| SMILES |
CC=C(CO)NC=NCC
|
| InChIKey |
WVJXEWZVALLKLM-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM382951
Similarity: 0.7339
Similarity to MM382951
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8465 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80637
Similarity: 0.7333
Similarity to MM80637
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73382
Similarity: 0.7023
Similarity to MM73382
| Tanimoto metric | 0.7023 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8251 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+327 more
