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DocumentationIdentifier: MM303206
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303206 |
| SMILES |
C#CC(C)CC(O)C(=O)O
|
| InChIKey |
VBKRSCCRIAAFQP-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8406 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM47918
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| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8406 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM303198
Similarity: 0.6667
Similarity to MM303198
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8014 |
| Dice metric | 0.8 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+110 more
