Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM239741
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239741 |
| SMILES |
C=COCCC(C)(O)C#N
|
| InChIKey |
OTZRIBCZOBIALB-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41873
Similarity: 0.8155
Similarity to MM41873
| Tanimoto metric | 0.8155 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.8984 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309271
Similarity: 0.7179
Similarity to MM309271
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8358 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239639
Similarity: 0.7179
Similarity to MM239639
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8358 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
