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DocumentationIdentifier: MM243175
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243175 |
| SMILES |
C=CC(C)(CCN)OC=O
|
| InChIKey |
PXESYRUWYYWDAT-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM83649
Similarity: 0.6378
Similarity to MM83649
| Tanimoto metric | 0.6378 |
|---|---|
| Cosine metric | 0.7986 |
| Dice metric | 0.7788 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303679
Similarity: 0.604
Similarity to MM303679
| Tanimoto metric | 0.604 |
|---|---|
| Cosine metric | 0.7546 |
| Dice metric | 0.7531 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243211
Similarity: 0.5987
Similarity to MM243211
| Tanimoto metric | 0.5987 |
|---|---|
| Cosine metric | 0.7491 |
| Dice metric | 0.749 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+72 more
