Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM86512
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM86512 |
| SMILES |
N#CC=C(C#N)C(O)C=O
|
| InChIKey |
NOSXHOHBTRYDFT-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
-0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175334
Similarity: 0.7361
Similarity to MM175334
| Tanimoto metric | 0.7361 |
|---|---|
| Cosine metric | 0.858 |
| Dice metric | 0.848 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86510
Similarity: 0.7126
Similarity to MM86510
| Tanimoto metric | 0.7126 |
|---|---|
| Cosine metric | 0.8322 |
| Dice metric | 0.8322 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52691
Similarity: 0.7083
Similarity to MM52691
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8293 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
