Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM402632
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402632 |
| SMILES |
CCC(CC)OCCC#N
|
| InChIKey |
HKBUEZQEABKAPQ-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
2.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165845
Similarity: 0.875
Similarity to MM165845
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155903
Similarity: 0.75
Similarity to MM155903
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8571 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198582
Similarity: 0.75
Similarity to MM198582
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+596 more
