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DocumentationIdentifier: MM258507
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258507 |
| SMILES |
COCC(C)(O)CC(=O)O
|
| InChIKey |
VCBDUFFLDHXECV-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM226744
Similarity: 0.7308
Similarity to MM226744
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8444 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303016
Similarity: 0.6871
Similarity to MM303016
| Tanimoto metric | 0.6871 |
|---|---|
| Cosine metric | 0.8167 |
| Dice metric | 0.8145 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275024
Similarity: 0.6466
Similarity to MM275024
| Tanimoto metric | 0.6466 |
|---|---|
| Cosine metric | 0.8041 |
| Dice metric | 0.7854 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
