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DocumentationIdentifier: MM338729
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM338729 |
| SMILES |
COC(=O)CC(C)CCO
|
| InChIKey |
GQPZIAXJWPLEEX-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
MM142005
Similarity: 0.871
Similarity to MM142005
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262043
Similarity: 0.8416
Similarity to MM262043
| Tanimoto metric | 0.8416 |
|---|---|
| Cosine metric | 0.914 |
| Dice metric | 0.914 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328491
Similarity: 0.8265
Similarity to MM328491
| Tanimoto metric | 0.8265 |
|---|---|
| Cosine metric | 0.9057 |
| Dice metric | 0.905 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+632 more
