Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM404837
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404837 |
| SMILES |
CC=CCCC(C#N)CO
|
| InChIKey |
OWXGZJIWWUTJEX-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
MM198922
Similarity: 0.8372
Similarity to MM198922
| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9114 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353373
Similarity: 0.6628
Similarity to MM353373
| Tanimoto metric | 0.6628 |
|---|---|
| Cosine metric | 0.8141 |
| Dice metric | 0.7972 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167245
Similarity: 0.6512
Similarity to MM167245
| Tanimoto metric | 0.6512 |
|---|---|
| Cosine metric | 0.8069 |
| Dice metric | 0.7887 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+381 more
