Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM103094
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM103094 |
| SMILES |
C=CC(C)(C)OC=O
|
| InChIKey |
DFTMTUFWJJSOSY-UHFFFAOYSA-N
|
| MW [Da] |
114.14
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97979
Similarity: 0.7288
Similarity to MM97979
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8431 |
| MW: | 100.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130861
Similarity: 0.686
Similarity to MM130861
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8283 |
| Dice metric | 0.8138 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139422
Similarity: 0.6211
Similarity to MM139422
| Tanimoto metric | 0.6211 |
|---|---|
| Cosine metric | 0.7881 |
| Dice metric | 0.7662 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+234 more
