Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM386076
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386076 |
| SMILES |
CCCC(C#N)=CCC#N
|
| InChIKey |
KHQPFEDYONTBGP-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
2.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179101
Similarity: 0.8313
Similarity to MM179101
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9079 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382173
Similarity: 0.8242
Similarity to MM382173
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9036 |
| Dice metric | 0.9036 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55700
Similarity: 0.8072
Similarity to MM55700
| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8933 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+613 more
