Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM451932
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451932 |
| SMILES |
C#CCCN=CNCC#N
|
| InChIKey |
IDXBHAUEELBRTC-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM57342
Similarity: 0.8028
Similarity to MM57342
| Tanimoto metric | 0.8028 |
|---|---|
| Cosine metric | 0.896 |
| Dice metric | 0.8906 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM451384
Similarity: 0.6951
Similarity to MM451384
| Tanimoto metric | 0.6951 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8201 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363398
Similarity: 0.686
Similarity to MM363398
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.814 |
| Dice metric | 0.8138 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+81 more
