Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM242227
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242227 |
| SMILES |
CC(O)(CO)C(=O)CC#N
|
| InChIKey |
MBJIMVYROVCUIE-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41619
Similarity: 0.7517
Similarity to MM41619
| Tanimoto metric | 0.7517 |
|---|---|
| Cosine metric | 0.867 |
| Dice metric | 0.8582 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242146
Similarity: 0.6627
Similarity to MM242146
| Tanimoto metric | 0.6627 |
|---|---|
| Cosine metric | 0.7986 |
| Dice metric | 0.7972 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40296
Similarity: 0.6577
Similarity to MM40296
| Tanimoto metric | 0.6577 |
|---|---|
| Cosine metric | 0.811 |
| Dice metric | 0.7935 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+63 more
