Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM349754
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349754 |
| SMILES |
C=C(C#N)C(C)N(C)C=O
|
| InChIKey |
CKAQEKIJYFMHKA-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172782
Similarity: 0.726
Similarity to MM172782
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.8521 |
| Dice metric | 0.8413 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160272
Similarity: 0.7192
Similarity to MM160272
| Tanimoto metric | 0.7192 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8367 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24661
Similarity: 0.6708
Similarity to MM24661
| Tanimoto metric | 0.6708 |
|---|---|
| Cosine metric | 0.8059 |
| Dice metric | 0.803 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+65 more
