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MMsINC code: MMs00082381

Type: Neutral
Formula: C₁₀H₁₀FNO₃

SMILES:

Fc1ccc(cc1)C(=O)NC(C(O)=O)C

InChI:

InChI=1/C10H10FNO3/c1-6(10(14)15)12-9(13)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)(H,14,15)/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.4952 kcal/mol

Physical Properties
Molecular Weight: 211.192 g/mol	logS: -2.14904	SlogP: 1.0286	Reactive groups: 0

Topological Properties
Globularity: 0.0549546	Sterimol/B1: 2.29658	Sterimol/B2: 2.75505	Sterimol/B3: 3.6088
Sterimol/B4: 4.87221	Sterimol/L: 13.2202

Surface and Volume Properties
Accessible surface: 405.537	Positive charged surface: 213.55	Negative charged surface: 191.987	Volume: 186.5
Hydrophobic surface: 257.816	Hydrophilic surface: 147.721

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	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

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Ions/Tautomers related molecules

MMs00082382
ASINEX-ZINC00146181