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DocumentationIdentifier: MM328580
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328580 |
| SMILES |
CCC(=O)CC(CC)OC
|
| InChIKey |
MZDFIPSLLYIRQU-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142033
Similarity: 0.8019
Similarity to MM142033
| Tanimoto metric | 0.8019 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262433
Similarity: 0.7807
Similarity to MM262433
| Tanimoto metric | 0.7807 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8768 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66858
Similarity: 0.7241
Similarity to MM66858
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.8415 |
| Dice metric | 0.84 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+327 more
