Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM167665
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM167665 |
| SMILES |
CC#CCCC(C)C#N
|
| InChIKey |
ALOONRJHBVDPNN-UHFFFAOYSA-N
|
| MW [Da] |
121.18
Automatically obtained from RDkit software. |
| LogP |
1.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM370416
Similarity: 0.9661
Similarity to MM370416
| Tanimoto metric | 0.9661 |
|---|---|
| Cosine metric | 0.9829 |
| Dice metric | 0.9828 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370519
Similarity: 0.8769
Similarity to MM370519
| Tanimoto metric | 0.8769 |
|---|---|
| Cosine metric | 0.9364 |
| Dice metric | 0.9344 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370581
Similarity: 0.8507
Similarity to MM370581
| Tanimoto metric | 0.8507 |
|---|---|
| Cosine metric | 0.9224 |
| Dice metric | 0.9194 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+699 more
