Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM84375
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84375 |
| SMILES |
CC(C=CC#N)=CCC#N
|
| InChIKey |
YXQWFAJNBUOTNQ-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
1.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159196
Similarity: 0.8592
Similarity to MM159196
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159786
Similarity: 0.831
Similarity to MM159786
| Tanimoto metric | 0.831 |
|---|---|
| Cosine metric | 0.9116 |
| Dice metric | 0.9077 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238534
Similarity: 0.7262
Similarity to MM238534
| Tanimoto metric | 0.7262 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8414 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+407 more
