Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM129912
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM129912 |
| SMILES |
C=C(C(C)=O)C(C)(C)C
|
| InChIKey |
UJEADONHSFEGFL-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM109148
Similarity: 0.7831
Similarity to MM109148
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225808
Similarity: 0.664
Similarity to MM225808
| Tanimoto metric | 0.664 |
|---|---|
| Cosine metric | 0.8149 |
| Dice metric | 0.7981 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102652
Similarity: 0.6506
Similarity to MM102652
| Tanimoto metric | 0.6506 |
|---|---|
| Cosine metric | 0.8066 |
| Dice metric | 0.7883 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+560 more
