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APOLLO-ZINC01589763

MMsINC code: MMs00049534

Type: Ionized
Formula: C₄H₄F₃O₃-

SMILES:

FC(F)(F)C(O)CC(=O)[O-]

InChI:

InChI=1/C4H5F3O3/c5-4(6,7)2(8)1-3(9)10/h2,8H,1H2,(H,9,10)/p-1/t2-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=10.7419 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 157.067 g/mol	logS: -0.6092	SlogP: -0.5305	Reactive groups: 0

Topological Properties
Globularity: 0.168505	Sterimol/B1: 2.46149	Sterimol/B2: 2.57373	Sterimol/B3: 3.0564
Sterimol/B4: 4.06346	Sterimol/L: 8.93123

Surface and Volume Properties
Accessible surface: 272.54	Positive charged surface: 84.5223	Negative charged surface: 188.017	Volume: 100.875
Hydrophobic surface: 48.0381	Hydrophilic surface: 224.5019

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs00049533
APOLLO-ZINC01589763