Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM43183
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43183 |
| SMILES |
CCCNC(C#N)CCO
|
| InChIKey |
OJTITOCKFWGCBO-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45489
Similarity: 0.8737
Similarity to MM45489
| Tanimoto metric | 0.8737 |
|---|---|
| Cosine metric | 0.9347 |
| Dice metric | 0.9326 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43198
Similarity: 0.8367
Similarity to MM43198
| Tanimoto metric | 0.8367 |
|---|---|
| Cosine metric | 0.9125 |
| Dice metric | 0.9111 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198843
Similarity: 0.7263
Similarity to MM198843
| Tanimoto metric | 0.7263 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8415 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+320 more
