Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM208026
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM208026 |
| SMILES |
N#CCNC(C#N)CO
|
| InChIKey |
CGCBDOQAXCANBC-UHFFFAOYSA-N
|
| MW [Da] |
125.13
Automatically obtained from RDkit software. |
| LogP |
-1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM208053
Similarity: 0.9091
Similarity to MM208053
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48830
Similarity: 0.8714
Similarity to MM48830
| Tanimoto metric | 0.8714 |
|---|---|
| Cosine metric | 0.9335 |
| Dice metric | 0.9313 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM207269
Similarity: 0.8533
Similarity to MM207269
| Tanimoto metric | 0.8533 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9209 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
