Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM216201
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM216201 |
| SMILES |
C=CCC#CC=CC#N
|
| InChIKey |
QIAOXUVXNAWOAK-UHFFFAOYSA-N
|
| MW [Da] |
117.15
Automatically obtained from RDkit software. |
| LogP |
1.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126587
Similarity: 0.8519
Similarity to MM126587
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 105.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM454607
Similarity: 0.8065
Similarity to MM454607
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8929 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368549
Similarity: 0.7606
Similarity to MM368549
| Tanimoto metric | 0.7606 |
|---|---|
| Cosine metric | 0.8721 |
| Dice metric | 0.864 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+509 more
