Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM150054
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150054 |
| SMILES |
CC(=O)OC(C#N)CO
|
| InChIKey |
GELUCXNHKOXXCO-UHFFFAOYSA-N
|
| MW [Da] |
129.12
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
MM66894
Similarity: 0.8087
Similarity to MM66894
| Tanimoto metric | 0.8087 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8942 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329455
Similarity: 0.8087
Similarity to MM329455
| Tanimoto metric | 0.8087 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8942 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329453
Similarity: 0.7881
Similarity to MM329453
| Tanimoto metric | 0.7881 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8815 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
