Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM405376
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405376 |
| SMILES |
CCC(C#N)=CC=COC
|
| InChIKey |
HMKPRRWEERTVSE-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171532
Similarity: 0.7158
Similarity to MM171532
| Tanimoto metric | 0.7158 |
|---|---|
| Cosine metric | 0.846 |
| Dice metric | 0.8344 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171435
Similarity: 0.6632
Similarity to MM171435
| Tanimoto metric | 0.6632 |
|---|---|
| Cosine metric | 0.8143 |
| Dice metric | 0.7975 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405699
Similarity: 0.6602
Similarity to MM405699
| Tanimoto metric | 0.6602 |
|---|---|
| Cosine metric | 0.8003 |
| Dice metric | 0.7953 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
