Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM313955
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313955 |
| SMILES |
CCNC(C#N)C=O
|
| InChIKey |
GBPVYBUTJOURMF-UHFFFAOYSA-N
|
| MW [Da] |
112.13
Automatically obtained from RDkit software. |
| LogP |
-0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM87881
Similarity: 0.863
Similarity to MM87881
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.929 |
| Dice metric | 0.9265 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306530
Similarity: 0.863
Similarity to MM306530
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.929 |
| Dice metric | 0.9265 |
| MW: | 123.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63701
Similarity: 0.7975
Similarity to MM63701
| Tanimoto metric | 0.7975 |
|---|---|
| Cosine metric | 0.893 |
| Dice metric | 0.8873 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
