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2-hydroxy-4-methylpentanoic Acid

2D Structure
3D Structure
Source:
General
Identifier MM03705
SMILES CC(C)CC(O)C(=O)O
InChIKey LVRFTAZAXQPQHI-UHFFFAOYSA-N
MW [Da] 132.16

Automatically obtained from RDkit software.
LogP 0.48

Automatically obtained from RDkit software.
Links

PubChem

 92779

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
2-Hydroxyvaleric Acid
Similarity: 0.7701
Similarity to 2-Hydroxyvaleric Acid
Tanimoto metric 0.7701
Cosine metric 0.8776
Dice metric 0.8701
MW:
118.13
PI:
9
Total passive interactions
2-hydroxy-4-methylpentanoic Acid
 2
2-Hydroxyvaleric Acid
 9
LogP:
0.23
AI:
0
Total active interactions
2-hydroxy-4-methylpentanoic Acid
 0
2-Hydroxyvaleric Acid
 0
MM303206
Similarity: 0.725
Similarity to MM303206
Tanimoto metric 0.725
Cosine metric 0.8515
Dice metric 0.8406
MW:
142.15
PI:
2
Total passive interactions
2-hydroxy-4-methylpentanoic Acid
 2
MM303206
 2
LogP:
0.09
AI:
0
Total active interactions
2-hydroxy-4-methylpentanoic Acid
 0
MM303206
 0
MM299715
Similarity: 0.725
Similarity to MM299715
Tanimoto metric 0.725
Cosine metric 0.8515
Dice metric 0.8406
MW:
150.15
PI:
2
Total passive interactions
2-hydroxy-4-methylpentanoic Acid
 2
MM299715
 2
LogP:
0.43
AI:
0
Total active interactions
2-hydroxy-4-methylpentanoic Acid
 0
MM299715
 0
+333 more

No data

Methods

Computed
QSAR
Simulated
Coarse grain MD

No data

No transporter data found.