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DocumentationIdentifier: MM262434
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262434 |
| SMILES |
COC(C)CC(=O)CCO
|
| InChIKey |
SEXHVAOZYBYGJG-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.36
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: 0.8763
Similarity to MM142033
| Tanimoto metric | 0.8763 |
|---|---|
| Cosine metric | 0.9361 |
| Dice metric | 0.9341 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262433
Similarity: 0.8476
Similarity to MM262433
| Tanimoto metric | 0.8476 |
|---|---|
| Cosine metric | 0.9175 |
| Dice metric | 0.9175 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328582
Similarity: 0.7317
Similarity to MM328582
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8451 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+401 more
