Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM64917
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64917 |
| SMILES |
COCC(=O)OC(C)C#N
|
| InChIKey |
NTKBPYDMKUPBCJ-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42977
Similarity: 0.8515
Similarity to MM42977
| Tanimoto metric | 0.8515 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9198 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80136
Similarity: 0.7748
Similarity to MM80136
| Tanimoto metric | 0.7748 |
|---|---|
| Cosine metric | 0.8734 |
| Dice metric | 0.8731 |
| MW: | 140.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41083
Similarity: 0.7129
Similarity to MM41083
| Tanimoto metric | 0.7129 |
|---|---|
| Cosine metric | 0.8443 |
| Dice metric | 0.8324 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
