Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM15717
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15717 |
| SMILES |
C#CC(C#N)(C#N)CC=O
|
| InChIKey |
KDRBDIYGNHQWIY-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139606
Similarity: 0.8454
Similarity to MM139606
| Tanimoto metric | 0.8454 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9162 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53137
Similarity: 0.7113
Similarity to MM53137
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8313 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243456
Similarity: 0.6667
Similarity to MM243456
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8012 |
| Dice metric | 0.8 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+54 more
