Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM381955
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381955 |
| SMILES |
C#CC=C(CN)COCC
|
| InChIKey |
SIOGYWXZXPBCJE-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM69520
Similarity: 0.8286
Similarity to MM69520
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199788
Similarity: 0.781
Similarity to MM199788
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8837 |
| Dice metric | 0.877 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412230
Similarity: 0.7411
Similarity to MM412230
| Tanimoto metric | 0.7411 |
|---|---|
| Cosine metric | 0.8538 |
| Dice metric | 0.8513 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+388 more
