Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM331989
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM331989 |
| SMILES |
CCC(=NC)NC(C)C#N
|
| InChIKey |
OFQTUSNAIQPUTM-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM69945
Similarity: 0.7377
Similarity to MM69945
| Tanimoto metric | 0.7377 |
|---|---|
| Cosine metric | 0.8589 |
| Dice metric | 0.8491 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92139
Similarity: 0.7295
Similarity to MM92139
| Tanimoto metric | 0.7295 |
|---|---|
| Cosine metric | 0.8541 |
| Dice metric | 0.8436 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150257
Similarity: 0.6885
Similarity to MM150257
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8155 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+412 more
