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DocumentationIdentifier: MM272016
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272016 |
| SMILES |
CCC(CC(C)O)OC=O
|
| InChIKey |
HOPNZLUJMZSNLP-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261417
Similarity: 0.8462
Similarity to MM261417
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9167 |
| Dice metric | 0.9167 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261433
Similarity: 0.7327
Similarity to MM261433
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8497 |
| Dice metric | 0.8457 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402446
Similarity: 0.6355
Similarity to MM402446
| Tanimoto metric | 0.6355 |
|---|---|
| Cosine metric | 0.7808 |
| Dice metric | 0.7771 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+203 more
