Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM171692
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171692 |
| SMILES |
C=CC#CC=C(F)C#N
|
| InChIKey |
ZBZCANSDBBJYQM-UHFFFAOYSA-N
|
| MW [Da] |
121.11
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM372013
Similarity: 0.9474
Similarity to MM372013
| Tanimoto metric | 0.9474 |
|---|---|
| Cosine metric | 0.9733 |
| Dice metric | 0.973 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114921
Similarity: 0.875
Similarity to MM114921
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 109.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290663
Similarity: 0.8158
Similarity to MM290663
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8986 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+265 more
