Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM403248
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403248 |
| SMILES |
C=CCCCC(C#N)CO
|
| InChIKey |
RHFUQRXZXLVXQU-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198792
Similarity: 0.7952
Similarity to MM198792
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8859 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402806
Similarity: 0.7416
Similarity to MM402806
| Tanimoto metric | 0.7416 |
|---|---|
| Cosine metric | 0.8538 |
| Dice metric | 0.8516 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198922
Similarity: 0.6848
Similarity to MM198922
| Tanimoto metric | 0.6848 |
|---|---|
| Cosine metric | 0.815 |
| Dice metric | 0.8129 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+450 more
