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MMsINC code: MMs02344772

Type: Ionized
Formula: C₉H₆F₂NO₃-

SMILES:

Fc1cc(cc(F)c1N(C=O)C)C(=O)[O-]

InChI:

InChI=1/C9H7F2NO3/c1-12(4-13)8-6(10)2-5(9(14)15)3-7(8)11/h2-4H,1H3,(H,14,15)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.4944 kcal/mol

Physical Properties
Molecular Weight: 214.147 g/mol	logS: -2.19707	SlogP: -0.0791	Reactive groups: 0

Topological Properties
Globularity: 0.0207477	Sterimol/B1: 2.34707	Sterimol/B2: 2.54472	Sterimol/B3: 2.70716
Sterimol/B4: 5.01562	Sterimol/L: 11.9676

Surface and Volume Properties
Accessible surface: 365.527	Positive charged surface: 186.086	Negative charged surface: 179.441	Volume: 169.75
Hydrophobic surface: 213.588	Hydrophilic surface: 151.939

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

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:

MMs02344771
NCID-ZINC01719664