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DocumentationIdentifier: MM303036
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303036 |
| SMILES |
CC(CO)COCC(=O)O
|
| InChIKey |
GLEPDXWXKSFJHZ-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM307656
Similarity: 0.7733
Similarity to MM307656
| Tanimoto metric | 0.7733 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.8722 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302974
Similarity: 0.7436
Similarity to MM302974
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8575 |
| Dice metric | 0.8529 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312478
Similarity: 0.7303
Similarity to MM312478
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8442 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
