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DocumentationIdentifier: MM301155
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301155 |
| SMILES |
CC(C)C(O)CCOC=O
|
| InChIKey |
FHCICKVMCYSZLT-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161962
Similarity: 0.7805
Similarity to MM161962
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8767 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291252
Similarity: 0.6809
Similarity to MM291252
| Tanimoto metric | 0.6809 |
|---|---|
| Cosine metric | 0.8107 |
| Dice metric | 0.8101 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239431
Similarity: 0.6602
Similarity to MM239431
| Tanimoto metric | 0.6602 |
|---|---|
| Cosine metric | 0.796 |
| Dice metric | 0.7953 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+410 more
